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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H26FN5O4S MolecularWeight: 451.514943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN5O4S/c1-23(2)10-9-22-31(29,30)18-7-8-19(20(15-18)26(27)28)25-13-11-24(12-14-25)17-5-3-16(21)4-6-17/h3-8,15,22H,9-14H2,1-2H3