4-(azepan-1-yl)-6-methoxy-3-(phenylsulfonyl)quinoline

Systemtic Name: 4-(azepan-1-yl)-6-methoxy-3-(phenylsulfonyl)quinoline Openeye Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methoxy-quinoline CAS Name: 4-(1-azepanyl)-3-(benzenesulfonyl)-6-methoxyquinoline IUPAC Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-methoxyquinoline Traditional Name: 4-(azepan-1-yl)-3-besyl-6-methoxy-quinoline Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C22H24N2O3S/c1-27-17-11-12-20-19(15-17)22(24-13-7-2-3-8-14-24)21(16-23-20)28(25,26)18-9-5-4-6-10-18/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3