N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-3-phenyl-propyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-3-phenyl-propyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-valeramide Formula: C30H33N3O5S2 MolecularWeight: 579.73012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H33N3O5S2/c1-20(2)19-26(33-40(36,37)23-16-14-22(38-3)15-17-23)29(35)31-25(18-13-21-9-5-4-6-10-21)28(34)30-32-24-11-7-8-12-27(24)39-30/h4-12,14-17,20,25-26,33H,13,18-19H2,1-3H3,(H,31,35)