ethanedioic acid; N-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: ethanedioic acid; N-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide; oxalic acid CAS Name: N-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide; oxalic acid IUPAC Name: N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide; oxalic acid Traditional Name: N-[2-hydroxy-3-(4-methylpiperazino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide; oxalic acid Formula: C23H31N3O8S MolecularWeight: 509.57254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3O4S.C2H2O4/c1-22-12-14-23(15-13-22)16-18(25)17-24(20-10-6-7-11-21(20)28-2)29(26,27)19-8-4-3-5-9-19;3-1(4)2(5)6/h3-11,18,25H,12-17H2,1-2H3;(H,3,4)(H,5,6)