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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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