(4-chloranyl-2-cyclohexyl-phenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: (4-chloranyl-2-cyclohexyl-phenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: (4-chloro-2-cyclohexyl-phenyl) 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid (4-chloro-2-cyclohexylphenyl) ester IUPAC Name: (4-chloro-2-cyclohexylphenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid (4-chloro-2-cyclohexyl-phenyl) ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

InChI

InChI=1S/C18H21ClN2O4S/c1-21-11-14(10-16(21)18(20)22)26(23,24)25-17-8-7-13(19)9-15(17)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,20,22)