[4-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H33N3O3S/c1-20-8-7-9-24(21(20)2)26-16-18-27(19-17-26)25(29)22-10-12-23(13-11-22)32(30,31)28-14-5-3-4-6-15-28/h7-13H,3-6,14-19H2,1-2H3