N-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: N-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-cyclopropyl-5-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: cyclopropyl-[5-[4-(4-fluorophenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C19H21FN4O4S MolecularWeight: 420.457843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN4O4S/c20-14-1-6-17(7-2-14)29(27,28)23-11-9-22(10-12-23)16-5-8-19(24(25)26)18(13-16)21-15-3-4-15/h1-2,5-8,13,15,21H,3-4,9-12H2