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

Systemtic Name: 6-chloranyl-4-methylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-4-methylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-4-methylsulfonyl-N-[4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-4-methylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-4-mesyl-N-[4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H21ClN2O4S2 MolecularWeight: 489.00684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O4S2/c1-32(28,29)26-14-22(30-21-12-9-17(24)13-20(21)26)23(27)25-18-10-7-16(8-11-18)15-31-19-5-3-2-4-6-19/h2-13,22H,14-15H2,1H3,(H,25,27)