N-(2,5-dimethylphenyl)-N-methyl-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)-N-methyl-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-quinoline-6-sulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-(2,5-dimethylphenyl)-N-methyl-4-oxo-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(2,5-dimethylphenyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C30H32N4O4S MolecularWeight: 544.66448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4S/c1-21-9-10-22(2)28(17-21)32(3)39(37,38)24-11-12-27-25(18-24)29(35)26(19-31-27)30(36)34-15-13-33(14-16-34)20-23-7-5-4-6-8-23/h4-12,17-19H,13-16,20H2,1-3H3,(H,31,35)