[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3-methyl-1-piperidyl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3-methylpiperidino)methanone Formula: C20H30N2O3S MolecularWeight: 378.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O3S/c1-16-8-7-11-21(15-16)20(23)18-10-9-17(2)19(14-18)26(24,25)22-12-5-3-4-6-13-22/h9-10,14,16H,3-8,11-13,15H2,1-2H3