N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methoxyphenoxy)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methoxyphenoxy)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methoxyphenoxy)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(2-methoxyphenoxy)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(2-methoxyphenoxy)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methoxyphenoxy)propionamide Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCOC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCOC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-18-11-12-19(17-22(18)31(27,28)25-14-7-3-4-8-15-25)24-23(26)13-16-30-21-10-6-5-9-20(21)29-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,24,26)