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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(p-tolylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S2/c1-19-11-13-21(14-12-19)32-16-15-26-25(28)24-17-27(22-9-5-6-10-23(22)31-24)33(29,30)18-20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3,(H,26,28)