N-(2-diethylaminoethyl)-3-(phenylsulfonyl)piperidine-1-carboxamide; ethanedioic acid

Systemtic Name: N-(2-diethylaminoethyl)-3-(phenylsulfonyl)piperidine-1-carboxamide; ethanedioic acid Openeye Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)piperidine-1-carboxamide; oxalic acid CAS Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-1-piperidinecarboxamide; oxalic acid IUPAC Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)piperidine-1-carboxamide; oxalic acid Traditional Name: 3-besyl-N-(2-diethylaminoethyl)piperidine-1-carboxamide; oxalic acid Formula: C20H31N3O7S MolecularWeight: 457.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCCC(C1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCCC(C1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3O3S.C2H2O4/c1-3-20(4-2)14-12-19-18(22)21-13-8-11-17(15-21)25(23,24)16-9-6-5-7-10-16;3-1(4)2(5)6/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,19,22);(H,3,4)(H,5,6)