2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; N-phenethylbutane-1-sulfonamide

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; N-phenethylbutane-1-sulfonamide Openeye Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid; N-phenethylbutane-1-sulfonamide CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; N-phenethyl-1-butanesulfonamide IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; N-phenethylbutane-1-sulfonamide Traditional Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid; N-phenethylbutane-1-sulfonamide Formula: C32H42N2O5S2 MolecularWeight: 598.81628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCCC1=CC=CC=C1.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCCS(=O)(=O)NCCC1=CC=CC=C1.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C20H23NO3S.C12H19NO2S/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;1-2-3-11-16(14,15)13-10-9-12-7-5-4-6-8-12/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);4-8,13H,2-3,9-11H2,1H3