N-tert-butyl-4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(2-fluorobenzoyl)piperazino]-3-nitro-benzenesulfonamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O5S/c1-21(2,3)23-32(30,31)15-8-9-18(19(14-15)26(28)29)24-10-12-25(13-11-24)20(27)16-6-4-5-7-17(16)22/h4-9,14,23H,10-13H2,1-3H3