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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-methylsulfonyl-N-[2-(p-tolylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-[2-[(4-methylbenzyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O4S2/c1-15-7-9-16(10-8-15)14-27-12-11-21-20(23)19-13-22(28(2,24)25)17-5-3-4-6-18(17)26-19/h3-10,19H,11-14H2,1-2H3,(H,21,23)