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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(phenylcarbamoylamino)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(phenylcarbamoylamino)propanamide CAS Name: 3-[[anilino(oxo)methyl]amino]-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(phenylcarbamoylamino)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(phenylcarbamoylamino)propionamide Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N4O4S/c1-18-11-12-20(17-21(18)32(30,31)27-15-7-2-3-8-16-27)25-22(28)13-14-24-23(29)26-19-9-5-4-6-10-19/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H,25,28)(H2,24,26,29)