N-(2-chloranyl-4-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-chloro-4-nitrophenyl)propanamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: 2-(4-besylpiperazino)-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O5S/c1-14(19(25)21-18-8-7-15(24(26)27)13-17(18)20)22-9-11-23(12-10-22)30(28,29)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,25)