N-(2-cyanoethyl)-3-(3,5-dimethylpiperidin-1-yl)carbonyl-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-3-(3,5-dimethylpiperidin-1-yl)carbonyl-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: N-(2-cyanoethyl)-3-(3,5-dimethylpiperidine-1-carbonyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-(2-cyanoethyl)-3-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-N-methyl-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: N-(2-cyanoethyl)-3-(3,5-dimethylpiperidine-1-carbonyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: N-(2-cyanoethyl)-3-(3,5-dimethylpiperidine-1-carbonyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)CCC#N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)CCC#N)C

InChI

InChI=1S/C21H26N4O4S/c1-14-9-15(2)13-25(12-14)21(27)18-11-23-19-6-5-16(10-17(19)20(18)26)30(28,29)24(3)8-4-7-22/h5-6,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,23,26)