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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyclohexylsulfanylethyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyclohexylsulfanylethyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-(cyclohexylthio)ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2-cyclohexylsulfanylethyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylthio)ethyl]-2-methoxy-benzamide Formula: C22H34N2O4S2 MolecularWeight: 454.64636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSC3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSC3CCCCC3

InChI

InChI=1S/C22H34N2O4S2/c1-28-21-12-11-19(30(26,27)24-14-7-2-3-8-15-24)17-20(21)22(25)23-13-16-29-18-9-5-4-6-10-18/h11-12,17-18H,2-10,13-16H2,1H3,(H,23,25)