4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide CAS Name: 4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzenesulfonamide IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzenesulfonamide Traditional Name: 4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxybenzenesulfonamide Formula: C22H22N6O7S MolecularWeight: 514.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC=C(C=C5)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC=C(C=C5)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O7S/c23-36(31,32)17-4-2-16(3-5-17)35-22-20(28(29)30)21(24-13-25-22)27-9-7-26(8-10-27)12-15-1-6-18-19(11-15)34-14-33-18/h1-6,11,13H,7-10,12,14H2,(H2,23,31,32)