ethanedioic acid; ethyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)piperidine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]piperidine-1-carboxylate; oxalic acid CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)piperidine-1-carboxylate; oxalic acid Traditional Name: 4-[4-(2-naphthylsulfonyl)piperazino]piperidine-1-carboxylic acid ethyl ester; oxalic acid Formula: C24H31N3O8S MolecularWeight: 521.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O4S.C2H2O4/c1-2-29-22(26)24-11-9-20(10-12-24)23-13-15-25(16-14-23)30(27,28)21-8-7-18-5-3-4-6-19(18)17-21;3-1(4)2(5)6/h3-8,17,20H,2,9-16H2,1H3;(H,3,4)(H,5,6)