6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[3-(1-pyrrolidinylsulfonyl)anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-pyrrolidinosulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C18H22N2O5S/c21-17(15-8-1-2-9-16(15)18(22)23)19-13-6-5-7-14(12-13)26(24,25)20-10-3-4-11-20/h1-2,5-7,12,15-16H,3-4,8-11H2,(H,19,21)(H,22,23)