N,N-diethyl-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(4-fluorobenzoyl)piperazino]-3-nitro-benzenesulfonamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O5S/c1-3-25(4-2)32(30,31)18-9-10-19(20(15-18)26(28)29)23-11-13-24(14-12-23)21(27)16-5-7-17(22)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3