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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-3-23(4-2)30(28,29)16-9-10-17(19(15-16)24(26)27)21-11-13-22(14-12-21)18-7-5-6-8-20(18)25/h5-10,15,25H,3-4,11-14H2,1-2H3