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

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(m-tolylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-[(3-methylbenzyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S2/c1-20-8-7-11-22(16-20)18-33-15-14-27-26(29)25-17-28(23-12-5-6-13-24(23)32-25)34(30,31)19-21-9-3-2-4-10-21/h2-13,16,25H,14-15,17-19H2,1H3,(H,27,29)