[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3,5-dimethylpiperidin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3,5-dimethylpiperidin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,5-dimethyl-1-piperidyl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(3,5-dimethyl-1-piperidinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,5-dimethylpiperidin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,5-dimethylpiperidino)methanone Formula: C20H29ClN2O3S MolecularWeight: 412.97386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H29ClN2O3S/c1-15-11-16(2)14-22(13-15)20(24)17-7-8-18(21)19(12-17)27(25,26)23-9-5-3-4-6-10-23/h7-8,12,15-16H,3-6,9-11,13-14H2,1-2H3