azepan-1-yl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: azepan-1-yl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[[4-(methylthio)phenyl]methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-[1-[4-(methylthio)benzyl]-3-piperidyl]methanone; oxalic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2OS.C2H2O4/c1-24-19-10-8-17(9-11-19)15-21-12-6-7-18(16-21)20(23)22-13-4-2-3-5-14-22;3-1(4)2(5)6/h8-11,18H,2-7,12-16H2,1H3;(H,3,4)(H,5,6)