(E)-3-[3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[2-[dimethylamino(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4-methoxy-phenyl]acrylic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=CC(=C3)C=CC(=O)O)OC

Isomeric SMILES

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=CC(=C3)/C=C/C(=O)O)OC

InChI

InChI=1S/C21H22N2O7S/c1-22(2)21(26)18-13-23(15-6-4-5-7-16(15)30-18)31(27,28)19-12-14(9-11-20(24)25)8-10-17(19)29-3/h4-12,18H,13H2,1-3H3,(H,24,25)/b11-9+