N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]quinoline-8-sulfonamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]quinoline-8-sulfonamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]quinoline-8-sulfonamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-20-6-2-3-9-24(20)27(32)31-18-16-30(17-19-31)23-13-11-22(12-14-23)29-35(33,34)25-10-4-7-21-8-5-15-28-26(21)25/h2-15,29H,16-19H2,1H3