5-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-28(24,25)22-13-11-19(26-18-10-6-5-9-17(18)22)20(23)21-12-14-27-15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,21,23)