2-(4-methylphenyl)sulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(p-tolylsulfanyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(p-tolylthio)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C21H25N3O3S2/c1-16-6-10-18(11-7-16)28-15-21(25)23-17-8-12-19(13-9-17)29(26,27)24-20-5-3-2-4-14-22-20/h6-13H,2-5,14-15H2,1H3,(H,22,24)(H,23,25)