N-tert-butyl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-tert-butyl-4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-21(2,3)22-31(29,30)17-10-8-16(9-11-17)20(26)24-14-12-23(13-15-24)18-6-4-5-7-19(18)25(27)28/h4-11,22H,12-15H2,1-3H3