(2R)-4-(4-methylsulfonyl-2-nitro-phenyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(4-methylsulfonyl-2-nitro-phenyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(4-methylsulfonyl-2-nitro-phenyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-(4-methylsulfonyl-2-nitrophenyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(4-methylsulfonyl-2-nitrophenyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(4-mesyl-2-nitro-phenyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-3-10-20-19(23)18-12-21(15-6-4-5-7-17(15)28-18)14-9-8-13(29(2,26)27)11-16(14)22(24)25/h4-9,11,18H,3,10,12H2,1-2H3,(H,20,23)/t18-/m1/s1