N-(2,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O5S/c1-17-3-9-22(18(2)15-17)25-34(32,33)21-8-10-23(24(16-21)28(30)31)27-13-11-26(12-14-27)19-4-6-20(29)7-5-19/h3-10,15-16,25,29H,11-14H2,1-2H3