N-(2-cyclohexylsulfanylethyl)-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-2-methoxy-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(cyclohexylthio)ethyl]-2-methoxy-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-2-methoxy-5-piperidinosulfonyl-benzamide Formula: C21H32N2O4S2 MolecularWeight: 440.61978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSC3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSC3CCCCC3

InChI

InChI=1S/C21H32N2O4S2/c1-27-20-11-10-18(29(25,26)23-13-6-3-7-14-23)16-19(20)21(24)22-12-15-28-17-8-4-2-5-9-17/h10-11,16-17H,2-9,12-15H2,1H3,(H,22,24)