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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[2-(p-tolylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[2-[(4-methylbenzyl)thio]ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S2/c1-16-7-9-17(10-8-16)15-28-14-12-22-21(24)20-11-13-23(29(2,25)26)18-5-3-4-6-19(18)27-20/h3-10,20H,11-15H2,1-2H3,(H,22,24)