[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27ClN2O4S/c1-30-19-9-11-21-17(15-19)7-6-14-26(21)23(27)18-8-10-20(24)22(16-18)31(28,29)25-12-4-2-3-5-13-25/h8-11,15-16H,2-7,12-14H2,1H3