7-chloranyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[2-[(4-methylphenyl)thio]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[2-(p-tolylthio)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O4S2/c1-14-3-6-16(7-4-14)28-12-10-22-20(24)19-9-11-23(29(2,25)26)17-13-15(21)5-8-18(17)27-19/h3-8,13,19H,9-12H2,1-2H3,(H,22,24)