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

Systemtic Name: 2-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2-nitro-benzenesulfonamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C24H27N5O4S/c30-29(31)22-10-4-5-11-24(22)34(32,33)26-18-23(21-9-6-12-25-17-21)28-15-13-27(14-16-28)19-20-7-2-1-3-8-20/h1-12,17,23,26H,13-16,18-19H2