4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline

Systemtic Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline Openeye Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline CAS Name: 4-(1-azepanyl)-6,7-dimethoxy-3-(4-methoxyphenyl)sulfonylquinoline IUPAC Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)sulfonylquinoline Traditional Name: 4-(azepan-1-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3N=C2)OC)OC)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3N=C2)OC)OC)N4CCCCCC4

InChI

InChI=1S/C24H28N2O5S/c1-29-17-8-10-18(11-9-17)32(27,28)23-16-25-20-15-22(31-3)21(30-2)14-19(20)24(23)26-12-6-4-5-7-13-26/h8-11,14-16H,4-7,12-13H2,1-3H3