ethanedioic acid; ethyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(p-tolylsulfonyl)piperazin-1-yl]piperidine-1-carboxylate; oxalic acid CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-(4-tosylpiperazino)piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O8S MolecularWeight: 485.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O4S.C2H2O4/c1-3-26-19(23)21-10-8-17(9-11-21)20-12-14-22(15-13-20)27(24,25)18-6-4-16(2)5-7-18;3-1(4)2(5)6/h4-7,17H,3,8-15H2,1-2H3;(H,3,4)(H,5,6)