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ethanedioic acid; 1-[1-(phenylsulfonyl)piperidin-4-yl]azepane

ethanedioic acid; 1-[1-(phenylsulfonyl)piperidin-4-yl]azepane

Systemtic Name:ethanedioic acid; 1-[1-(phenylsulfonyl)piperidin-4-yl]azepane
Openeye Name:1-[1-(benzenesulfonyl)-4-piperidyl]azepane; oxalic acid
CAS Name:1-[1-(benzenesulfonyl)-4-piperidinyl]azepane; oxalic acid
IUPAC Name:1-[1-(benzenesulfonyl)piperidin-4-yl]azepane; oxalic acid
Traditional Name:1-(1-besyl-4-piperidyl)azepane; oxalic acid
Formula: C19H28N2O6S
MolecularWeight: 412.50042
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H26N2O2S.C2H2O4/c20-22(21,17-8-4-3-5-9-17)19-14-10-16(11-15-19)18-12-6-1-2-7-13-18;3-1(4)2(5)6/h3-5,8-9,16H,1-2,6-7,10-15H2;(H,3,4)(H,5,6)


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