N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methoxy-4-(methylthio)benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)SC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)SC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S2/c1-16-8-9-17(14-21(16)30(26,27)24-12-6-4-5-7-13-24)23-22(25)19-11-10-18(29-3)15-20(19)28-2/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)