4-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-(2-chloro-5-methylsulfonyl-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(2-chloro-5-methylsulfonylphenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(2-chloro-5-methylsulfonylphenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-(2-chloro-5-mesyl-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H21ClN2O6S2 MolecularWeight: 472.96284

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H21ClN2O6S2/c1-3-10-21-19(23)17-12-22(15-6-4-5-7-16(15)28-17)30(26,27)18-11-13(29(2,24)25)8-9-14(18)20/h4-9,11,17H,3,10,12H2,1-2H3,(H,21,23)