6-methyl-4-[4-(phenylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)quinoline

Systemtic Name: 6-methyl-4-[4-(phenylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)-6-methyl-quinoline CAS Name: 3-(benzenesulfonyl)-6-methyl-4-[4-(phenylmethyl)-1-piperazinyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)-6-methylquinoline Traditional Name: 4-(4-benzylpiperazino)-3-besyl-6-methyl-quinoline Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c1-21-12-13-25-24(18-21)27(26(19-28-25)33(31,32)23-10-6-3-7-11-23)30-16-14-29(15-17-30)20-22-8-4-2-5-9-22/h2-13,18-19H,14-17,20H2,1H3