phenyl-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone

Systemtic Name: phenyl-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone Openeye Name: [6-(4-benzylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone CAS Name: phenyl-[6-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]methanone IUPAC Name: [6-(4-benzylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone Traditional Name: [6-(4-benzylpiperazino)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)N(C1)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)N(C1)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c31-27(23-10-5-2-6-11-23)30-15-7-12-24-20-25(13-14-26(24)30)34(32,33)29-18-16-28(17-19-29)21-22-8-3-1-4-9-22/h1-6,8-11,13-14,20H,7,12,15-19,21H2