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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-(tetrahydrofuran-2-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-(2-oxolanylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(tetrahydrofurfuryl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3CCCO3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3CCCO3

InChI

InChI=1S/C16H21ClN2O5S/c1-25(21,22)19-7-6-15(16(20)18-10-12-3-2-8-23-12)24-14-5-4-11(17)9-13(14)19/h4-5,9,12,15H,2-3,6-8,10H2,1H3,(H,18,20)