azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2-phenyl-quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2-phenyl-quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[6-[(4-methyl-1-piperidyl)sulfonyl]-2-phenyl-4-quinolyl]methanone CAS Name: 1-azepanyl-[6-[(4-methyl-1-piperidinyl)sulfonyl]-2-phenyl-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2-phenylquinolin-4-yl]methanone Traditional Name: azepan-1-yl-[6-(4-methylpiperidino)sulfonyl-2-phenyl-4-quinolyl]methanone Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N3O3S/c1-21-13-17-31(18-14-21)35(33,34)23-11-12-26-24(19-23)25(28(32)30-15-7-2-3-8-16-30)20-27(29-26)22-9-5-4-6-10-22/h4-6,9-12,19-21H,2-3,7-8,13-18H2,1H3