(1S,2S)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-[4-(1-pyrrolidinylsulfonyl)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(4-pyrrolidinosulfonylphenyl)carbamoyl]cyclohexanecarboxylate Formula: C18H23N2O5S- MolecularWeight: 379.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c21-17(15-5-1-2-6-16(15)18(22)23)19-13-7-9-14(10-8-13)26(24,25)20-11-3-4-12-20/h7-10,15-16H,1-6,11-12H2,(H,19,21)(H,22,23)/p-1/t15-,16-/m0/s1