7-chloranyl-5-methylsulfonyl-N-pyridin-3-yl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-pyridin-3-yl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-(3-pyridyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-(3-pyridinyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-pyridin-3-yl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(3-pyridyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C16H16ClN3O4S/c1-25(22,23)20-8-6-15(16(21)19-12-3-2-7-18-10-12)24-14-5-4-11(17)9-13(14)20/h2-5,7,9-10,15H,6,8H2,1H3,(H,19,21)