6-chloranyl-4-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-chloranyl-4-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-4-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O4S2/c1-28(24,25)22-12-18(26-17-8-7-15(20)11-16(17)22)19(23)21-9-10-27-13-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,21,23)