ethanedioic acid; ethyl 4-(4-ethylsulfonylpiperazin-1-yl)piperidine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(4-ethylsulfonylpiperazin-1-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(4-ethylsulfonylpiperazin-1-yl)piperidine-1-carboxylate; oxalic acid CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-1-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-ethylsulfonylpiperazin-1-yl)piperidine-1-carboxylate; oxalic acid Traditional Name: 4-(4-esylpiperazino)piperidine-1-carboxylic acid ethyl ester; oxalic acid Formula: C16H29N3O8S MolecularWeight: 423.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O4S.C2H2O4/c1-3-21-14(18)16-7-5-13(6-8-16)15-9-11-17(12-10-15)22(19,20)4-2;3-1(4)2(5)6/h13H,3-12H2,1-2H3;(H,3,4)(H,5,6)