6-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: 6-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[4-[(4-methyl-2-pyrimidinyl)azanidylsulfonyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H18N4O5S-2 MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-12-10-11-20-19(21-12)23-29(27,28)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)18(25)26/h2-3,6-11,15-16H,4-5H2,1H3,(H3,20,21,22,23,24,25,26)/p-2