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

Systemtic Name: 3-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]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3-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)22-9-4-10-23(16-22)34(32,33)26-18-24(21-8-5-11-25-17-21)28-14-12-27(13-15-28)19-20-6-2-1-3-7-20/h1-11,16-17,24,26H,12-15,18-19H2