2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazino]-N-(4-nitrophenyl)propionamide Formula: C19H21FN4O5S MolecularWeight: 436.457243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O5S/c1-14(19(25)21-16-5-7-17(8-6-16)24(26)27)22-9-11-23(12-10-22)30(28,29)18-4-2-3-15(20)13-18/h2-8,13-14H,9-12H2,1H3,(H,21,25)