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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H18ClN3O4S/c1-26(23,24)21-9-6-16(25-15-3-2-13(18)10-14(15)21)17(22)20-11-12-4-7-19-8-5-12/h2-5,7-8,10,16H,6,9,11H2,1H3,(H,20,22)