N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenoxy-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenoxy-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenoxy-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-phenoxypropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-phenoxypropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenoxy-propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCOC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCOC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-18-11-12-19(23-22(25)13-16-28-20-9-5-4-6-10-20)17-21(18)29(26,27)24-14-7-2-3-8-15-24/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H,23,25)