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

Systemtic Name: ethanedioic acid; 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]azepane Openeye Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]azepane; oxalic acid Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3S.C2H2O4/c1-23-17-6-8-18(9-7-17)24(21,22)20-14-10-16(11-15-20)19-12-4-2-3-5-13-19;3-1(4)2(5)6/h6-9,16H,2-5,10-15H2,1H3;(H,3,4)(H,5,6)