2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-N-(2-sulfanylethyl)butanamide

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-N-(2-sulfanylethyl)butanamide Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-N-(2-sulfanylethyl)butanamide CAS Name: N-(2-mercaptoethyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-methylbutanamide IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-sulfanylethyl)butanamide Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-N-(2-mercaptoethyl)-3-methyl-butyramide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCS)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)NCCS)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O4S2/c1-16(2)20(21(24)22-13-14-28)23(15-17-7-5-4-6-8-17)29(25,26)19-11-9-18(27-3)10-12-19/h4-12,16,20,28H,13-15H2,1-3H3,(H,22,24)