ethanedioic acid; [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-(4-methyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-(4-methylpiperazino)methanone; oxalic acid Formula: C20H29N3O8S MolecularWeight: 471.52456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O4S.C2H2O4/c1-19-10-12-20(13-11-19)18(22)15-4-3-9-21(14-15)26(23,24)17-7-5-16(25-2)6-8-17;3-1(4)2(5)6/h5-8,15H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6)