4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H23FN4O4S MolecularWeight: 422.473723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN4O4S/c1-14(2)21-29(27,28)17-7-8-18(19(13-17)24(25)26)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h3-8,13-14,21H,9-12H2,1-2H3