3-azanyl-N-[(1S,2R)-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanyl-1-phenylsulfanyl-propyl]-2-methyl-benzamide

Systemtic Name: 3-azanyl-N-[(1S,2R)-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanyl-1-phenylsulfanyl-propyl]-2-methyl-benzamide Openeye Name: 3-amino-N-[(1S,2R)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-1-phenylsulfanyl-propyl]-2-methyl-benzamide CAS Name: 3-amino-N-[(1S,2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-(phenylthio)propyl]-2-methylbenzamide IUPAC Name: 3-amino-N-[(1S,2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylsulfanylpropyl]-2-methylbenzamide Traditional Name: 3-amino-N-[(1S,2R)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-1-(phenylthio)propyl]-2-methyl-benzamide Formula: C28H35N3O5S2 MolecularWeight: 557.7246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(=O)NC(C(CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1N)C(=O)N[C@H]([C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)SC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O5S2/c1-19(2)17-31(38(34,35)23-15-13-21(36-4)14-16-23)18-26(32)28(37-22-9-6-5-7-10-22)30-27(33)24-11-8-12-25(29)20(24)3/h5-16,19,26,28,32H,17-18,29H2,1-4H3,(H,30,33)/t26-,28+/m1/s1