N-(4-bromophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-bromophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(4-bromophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(4-bromophenyl)-4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-bromophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(4-bromophenyl)-4-[4-(2-hydroxyethyl)piperazino]-3-nitro-benzenesulfonamide Formula: C18H21BrN4O5S MolecularWeight: 485.35214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H21BrN4O5S/c19-14-1-3-15(4-2-14)20-29(27,28)16-5-6-17(18(13-16)23(25)26)22-9-7-21(8-10-22)11-12-24/h1-6,13,20,24H,7-12H2