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

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-quinolin-3-yl-butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-(3-quinolyl)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-(3-quinolinyl)butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-quinolin-3-ylbutanamide Traditional Name: 4-(methylthio)-N-(3-quinolyl)-2-(tosylamino)butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H23N3O3S2/c1-15-7-9-18(10-8-15)29(26,27)24-20(11-12-28-2)21(25)23-17-13-16-5-3-4-6-19(16)22-14-17/h3-10,13-14,20,24H,11-12H2,1-2H3,(H,23,25)