N-(3-acetamido-4-methoxy-phenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC(=C(C=C2)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC(=C(C=C2)OC)NC(=O)C

InChI

InChI=1S/C21H27N3O5S2/c1-14-5-8-17(9-6-14)31(27,28)24-18(11-12-30-4)21(26)23-16-7-10-20(29-3)19(13-16)22-15(2)25/h5-10,13,18,24H,11-12H2,1-4H3,(H,22,25)(H,23,26)