[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(8-quinolylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(8-quinolinylsulfonyl)-3-piperidinyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-(8-quinolylsulfonyl)-3-piperidyl]methanone Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C

InChI

InChI=1S/C27H32N4O3S/c1-20-7-3-11-24(21(20)2)29-15-17-30(18-16-29)27(32)23-10-6-14-31(19-23)35(33,34)25-12-4-8-22-9-5-13-28-26(22)25/h3-5,7-9,11-13,23H,6,10,14-19H2,1-2H3