N-[3-(azepan-1-yl)propyl]-2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-ethoxy-N-methylsulfonyl-anilino)propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-ethoxy-N-mesyl-anilino)propionamide Formula: C21H35N3O4S MolecularWeight: 425.5853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O4S/c1-4-28-20-12-10-19(11-13-20)24(29(3,26)27)18(2)21(25)22-14-9-17-23-15-7-5-6-8-16-23/h10-13,18H,4-9,14-17H2,1-3H3,(H,22,25)