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

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[4-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[4-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-17(26)23-18-6-10-20(11-7-18)30-16-22(27)24-19-8-12-21(13-9-19)31(28,29)25-14-4-2-3-5-15-25/h6-13H,2-5,14-16H2,1H3,(H,23,26)(H,24,27)