ethanedioic acid; 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]azepane

Systemtic Name: ethanedioic acid; 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]azepane Openeye Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]azepane; oxalic acid Formula: C19H27FN2O6S MolecularWeight: 430.490883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25FN2O2S.C2H2O4/c18-15-5-7-17(8-6-15)23(21,22)20-13-9-16(10-14-20)19-11-3-1-2-4-12-19;3-1(4)2(5)6/h5-8,16H,1-4,9-14H2;(H,3,4)(H,5,6)