N-tert-butyl-2-chloranyl-5-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-2-chloranyl-5-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-tert-butyl-2-chloro-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-tert-butyl-2-chloro-5-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-chloro-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-tert-butyl-2-chloro-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-21(2,3)23-32(30,31)19-14-15(8-9-16(19)22)20(27)25-12-10-24(11-13-25)17-6-4-5-7-18(17)26(28)29/h4-9,14,23H,10-13H2,1-3H3