2-(4-acetamidophenyl)sulfanyl-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H26ClN3O4S2/c1-16(27)24-17-6-8-18(9-7-17)31-15-22(28)25-21-14-19(10-11-20(21)23)32(29,30)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,27)(H,25,28)