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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(4-hydroxyphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5S/c1-22(2)10-9-21-31(29,30)18-7-8-19(20(15-18)25(27)28)24-13-11-23(12-14-24)16-3-5-17(26)6-4-16/h3-8,15,21,26H,9-14H2,1-2H3