1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazine; ethanedioic acid Openeye Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine; oxalic acid Traditional Name: 1-besyl-4-piperonyl-piperazine; oxalic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2O4S.C2H2O4/c21-25(22,16-4-2-1-3-5-16)20-10-8-19(9-11-20)13-15-6-7-17-18(12-15)24-14-23-17;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)