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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O4S/c1-31-22-11-14-24-21(19-22)7-6-18-27(24)25(28)15-10-20-8-12-23(13-9-20)32(29,30)26-16-4-2-3-5-17-26/h8-9,11-14,19H,2-7,10,15-18H2,1H3