tert-butyl 1-[3-nitro-4-(phenylsulfonylamino)phenyl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-nitro-4-(phenylsulfonylamino)phenyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[4-(benzenesulfonamido)-3-nitro-phenyl]piperazine-2-carboxylate CAS Name: 1-[4-(benzenesulfonamido)-3-nitrophenyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-(benzenesulfonamido)-3-nitrophenyl]piperazine-2-carboxylate Traditional Name: 1-[4-(benzenesulfonamido)-3-nitro-phenyl]piperazine-2-carboxylic acid tert-butyl ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-21(2,3)31-20(26)19-14-22-11-12-24(19)15-9-10-17(18(13-15)25(27)28)23-32(29,30)16-7-5-4-6-8-16/h4-10,13,19,22-23H,11-12,14H2,1-3H3