4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-quinoline

Systemtic Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-quinoline Openeye Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-quinoline CAS Name: 4-(1-azepanyl)-3-(3,4-dimethylphenyl)sulfonylquinoline IUPAC Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonylquinoline Traditional Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-quinoline Formula: C23H26N2O2S MolecularWeight: 394.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N=C2)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N=C2)N4CCCCCC4)C

InChI

InChI=1S/C23H26N2O2S/c1-17-11-12-19(15-18(17)2)28(26,27)22-16-24-21-10-6-5-9-20(21)23(22)25-13-7-3-4-8-14-25/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3