(1R,2S)-2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]cyclohexanecarboxylate Formula: C19H21N4O5S- MolecularWeight: 417.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C19H22N4O5S/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/h6-11,15-16H,2-5H2,1H3,(H,22,24)(H,25,26)(H,20,21,23)/p-1/t15-,16+/m0/s1