2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-N-[5-[(3-dodecylsulfonyl-2-methyl-propanoyl)amino]-2-methoxy-phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: 2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-N-[5-[(3-dodecylsulfonyl-2-methyl-propanoyl)amino]-2-methoxy-phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: 2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methyl-propanoyl)amino]-2-methoxy-phenyl]-4,4-dimethyl-3-oxo-pentanamide CAS Name: 2-[3,5-dioxo-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-N-[5-[(3-dodecylsulfonyl-2-methyl-1-oxopropyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide IUPAC Name: 2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide Traditional Name: 2-(1-benzyl-3,5-diketo-2-phenyl-1,2,4-triazolidin-4-yl)-3-keto-N-[5-[(3-laurylsulfonyl-2-methyl-propanoyl)amino]-2-methoxy-phenyl]-4,4-dimethyl-valeramide Formula: C45H61N5O8S MolecularWeight: 832.05954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)CC(C)C(=O)NC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)N(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)CC(C)C(=O)NC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)N(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C45H61N5O8S/c1-7-8-9-10-11-12-13-14-15-22-29-59(56,57)32-33(2)41(52)46-35-27-28-38(58-6)37(30-35)47-42(53)39(40(51)45(3,4)5)49-43(54)48(31-34-23-18-16-19-24-34)50(44(49)55)36-25-20-17-21-26-36/h16-21,23-28,30,33,39H,7-15,22,29,31-32H2,1-6H3,(H,46,52)(H,47,53)