5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-methylsulfanylphenyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-methylsulfanylphenyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[3-(methylthio)phenyl]benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H26N2O3S2/c1-16-10-11-19(28(25,26)23-12-5-3-4-6-13-23)15-20(16)21(24)22-17-8-7-9-18(14-17)27-2/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)