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

Systemtic Name: (1S,2S)-2-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[4-(1-piperidylsulfonyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-[4-(1-piperidinylsulfonyl)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(4-piperidinosulfonylphenyl)carbamoyl]cyclohexanecarboxylate Formula: C19H25N2O5S- MolecularWeight: 393.4772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H26N2O5S/c22-18(16-6-2-3-7-17(16)19(23)24)20-14-8-10-15(11-9-14)27(25,26)21-12-4-1-5-13-21/h8-11,16-17H,1-7,12-13H2,(H,20,22)(H,23,24)/p-1/t16-,17-/m0/s1