[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-methyl-2-phenyl-quinolin-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-methyl-2-phenyl-quinolin-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-methyl-2-phenyl-4-quinolyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(6-methyl-2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(6-methyl-2-phenyl-4-quinolyl)methanone Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3S/c1-21-11-12-25-23(19-21)24(20-26(28-25)22-9-5-4-6-10-22)27(32)29-15-17-31(18-16-29)35(33,34)30-13-7-2-3-8-14-30/h4-6,9-12,19-20H,2-3,7-8,13-18H2,1H3