4-(azepan-1-yl)-6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline

Systemtic Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline Openeye Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline CAS Name: 4-(1-azepanyl)-6-ethoxy-3-(4-methoxyphenyl)sulfonylquinoline IUPAC Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methoxyphenyl)sulfonylquinoline Traditional Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinoline Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-3-30-19-10-13-22-21(16-19)24(26-14-6-4-5-7-15-26)23(17-25-22)31(27,28)20-11-8-18(29-2)9-12-20/h8-13,16-17H,3-7,14-15H2,1-2H3