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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylsulfanylphenyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(methylthio)phenyl]benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H26N2O4S2/c1-27-19-12-11-16(29(25,26)23-13-7-3-4-8-14-23)15-17(19)21(24)22-18-9-5-6-10-20(18)28-2/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)