N-(3-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-(3-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(3-ethylphenyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(3-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(3-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(3-ethylphenyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H26N2O3S2/c1-4-16-6-5-7-17(14-16)21-20(23)19(12-13-26-3)22-27(24,25)18-10-8-15(2)9-11-18/h5-11,14,19,22H,4,12-13H2,1-3H3,(H,21,23)