3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-benzamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S2/c1-25(17-22(27)24-20-12-5-6-13-21(20)31-2)23(28)18-10-9-11-19(16-18)32(29,30)26-14-7-3-4-8-15-26/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3,(H,24,27)