N-tert-butyl-3-nitro-4-(4-phenethylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(4-phenethylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-(4-phenethylpiperazin-1-yl)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-(4-phenethyl-1-piperazinyl)benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(4-phenethylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(4-phenethylpiperazino)benzenesulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)23-31(29,30)19-9-10-20(21(17-19)26(27)28)25-15-13-24(14-16-25)12-11-18-7-5-4-6-8-18/h4-10,17,23H,11-16H2,1-3H3