ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidin-4-amine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidin-4-amine; oxalic acid Traditional Name: benzyl-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]-methyl-amine; oxalic acid Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23FN2O2S.C2H2O4/c1-21(15-16-5-3-2-4-6-16)18-11-13-22(14-12-18)25(23,24)19-9-7-17(20)8-10-19;3-1(4)2(5)6/h2-10,18H,11-15H2,1H3;(H,3,4)(H,5,6)