ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-piperidine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-piperidine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-piperidine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(1-pyrrolidinyl)piperidine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidino-piperidine; oxalic acid Formula: C18H26N2O7S MolecularWeight: 414.47324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3S.C2H2O4/c1-21-15-4-6-16(7-5-15)22(19,20)18-12-8-14(9-13-18)17-10-2-3-11-17;3-1(4)2(5)6/h4-7,14H,2-3,8-13H2,1H3;(H,3,4)(H,5,6)