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

Systemtic Name: 4-(azepan-1-yl)-6-ethoxy-3-(phenylsulfonyl)quinoline Openeye Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-ethoxy-quinoline CAS Name: 4-(1-azepanyl)-3-(benzenesulfonyl)-6-ethoxyquinoline IUPAC Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-ethoxyquinoline Traditional Name: 4-(azepan-1-yl)-3-besyl-6-ethoxy-quinoline Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-2-28-18-12-13-21-20(16-18)23(25-14-8-3-4-9-15-25)22(17-24-21)29(26,27)19-10-6-5-7-11-19/h5-7,10-13,16-17H,2-4,8-9,14-15H2,1H3