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

Systemtic Name: 5-methylsulfonyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H19N3O4S/c1-25(22,23)20-11-8-16(24-15-5-3-2-4-14(15)20)17(21)19-12-13-6-9-18-10-7-13/h2-7,9-10,16H,8,11-12H2,1H3,(H,19,21)