ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-N-phenethyl-N-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-N-phenethyl-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-1-(4-methoxyphenyl)sulfonyl-N-phenethyl-piperidin-4-amine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-phenethyl-N-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-benzyl-1-(4-methoxyphenyl)sulfonyl-N-phenethylpiperidin-4-amine; oxalic acid Traditional Name: benzyl-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-phenethyl-amine; oxalic acid Formula: C29H34N2O7S MolecularWeight: 554.65446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O3S.C2H2O4/c1-32-26-12-14-27(15-13-26)33(30,31)29-20-17-25(18-21-29)28(22-24-10-6-3-7-11-24)19-16-23-8-4-2-5-9-23;3-1(4)2(5)6/h2-15,25H,16-22H2,1H3;(H,3,4)(H,5,6)