N-(2-methoxyphenyl)-5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(3-pyridylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(3-pyridinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(3-pyridylmethyl)piperazino]benzenesulfonamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H25N5O5S/c1-33-22-7-3-2-6-20(22)25-34(31,32)23-15-19(28(29)30)8-9-21(23)27-13-11-26(12-14-27)17-18-5-4-10-24-16-18/h2-10,15-16,25H,11-14,17H2,1H3