4-(4-chlorophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H23ClN2O4S2 MolecularWeight: 503.03342

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C24H23ClN2O4S2/c25-19-10-12-20(13-11-19)33(29,30)27-16-23(31-22-9-5-4-8-21(22)27)24(28)26-14-15-32-17-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,26,28)