2-azanyl-2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonyl-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonamide

Systemtic Name: 2-azanyl-2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonyl-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonamide Openeye Name: 2-amino-4-methylsulfanyl-2-[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]butanoic acid; 4-methylbenzenesulfonamide CAS Name: 2-amino-2-[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]-oxomethyl]-4-(methylthio)butanoic acid; 4-methylbenzenesulfonamide IUPAC Name: 2-amino-2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]-4-methylsulfanylbutanoic acid; 4-methylbenzenesulfonamide Traditional Name: 2-amino-4-(methylthio)-2-[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]butyric acid; 4-methylbenzenesulfonamide Formula: C33H35N3O5S2 MolecularWeight: 617.7781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C26H26N2O3S.C7H9NO2S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-28-17-20)11-12-22(23)24(29)26(27,25(30)31)13-15-32-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-12,14,16-17H,13,15,27H2,1-2H3,(H,30,31);2-5H,1H3,(H2,8,9,10)/b10-9+;