N-tert-butyl-4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(2-hydroxyphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(2-hydroxyphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-20(2,3)21-30(28,29)15-8-9-16(18(14-15)24(26)27)22-10-12-23(13-11-22)17-6-4-5-7-19(17)25/h4-9,14,21,25H,10-13H2,1-3H3