N-(2-chloranyl-4-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C19H21ClN2O5S/c1-13-4-6-16(15(20)10-13)21-19(23)12-22(2)28(24,25)14-5-7-17-18(11-14)27-9-3-8-26-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)