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

Systemtic Name: ethanedioic acid; ethyl 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate; oxalic acid CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate; oxalic acid Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazino]piperidine-1-carboxylic acid ethyl ester; oxalic acid Formula: C20H28ClN3O8S MolecularWeight: 505.96962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4S.C2H2O4/c1-2-26-18(23)21-9-7-16(8-10-21)20-11-13-22(14-12-20)27(24,25)17-5-3-15(19)4-6-17;3-1(4)2(5)6/h3-6,16H,2,7-14H2,1H3;(H,3,4)(H,5,6)