N-(5-chloranyl-2-methyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C18H19ClN2O4S/c1-12-7-8-13(19)11-14(12)20-18(22)17-9-10-21(26(2,23)24)15-5-3-4-6-16(15)25-17/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)