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

Systemtic Name: 2-(3-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-16-6-5-7-18(14-16)28-15-21(25)23-17-9-11-19(12-10-17)29(26,27)24-20-8-3-2-4-13-22-20/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,22,24)(H,23,25)