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

Systemtic Name: 2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(p-tolyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(p-tolyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-16-9-11-17(12-10-16)14-21(25)23-18-6-5-7-19(15-18)28(26,27)24-20-8-3-2-4-13-22-20/h5-7,9-12,15H,2-4,8,13-14H2,1H3,(H,22,24)(H,23,25)