(1S,6S)-6-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[oxo-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[[(4-pyrrolidinosulfonylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)[C@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C19H23N3O6S/c23-17(20-21-18(24)15-5-1-2-6-16(15)19(25)26)13-7-9-14(10-8-13)29(27,28)22-11-3-4-12-22/h1-2,7-10,15-16H,3-6,11-12H2,(H,20,23)(H,21,24)(H,25,26)/t15-,16-/m0/s1