3-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(ethylthio)phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylsulfanylphenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(ethylthio)phenyl]-4-methyl-benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-3-28-20-11-7-6-10-19(20)23-22(25)18-13-12-17(2)21(16-18)29(26,27)24-14-8-4-5-9-15-24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,23,25)