1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[1-(3-chloro-4-methylphenyl)sulfonyl-4-piperidinyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]-4-methyl-piperazine; oxalic acid Formula: C19H28ClN3O6S MolecularWeight: 461.96012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26ClN3O2S.C2H2O4/c1-14-3-4-16(13-17(14)18)24(22,23)21-7-5-15(6-8-21)20-11-9-19(2)10-12-20;3-1(4)2(5)6/h3-4,13,15H,5-12H2,1-2H3;(H,3,4)(H,5,6)