2-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-2-nitro-benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c25-24(26)19-9-4-5-10-20(19)29(27,28)21-11-6-12-22-13-15-23(16-14-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2