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

Systemtic Name: 4-ethylsulfonyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[2-(m-tolylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[2-[(3-methylphenyl)methylthio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[2-[(3-methylbenzyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CC(=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CC(=C3)C

InChI

InChI=1S/C21H26N2O4S2/c1-3-29(25,26)23-14-20(27-19-10-5-4-9-18(19)23)21(24)22-11-12-28-15-17-8-6-7-16(2)13-17/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H,22,24)