1-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 1-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 1-[[3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylate IUPAC Name: 1-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-[(2S)-2-methylpiperidino]sulfonylbenzoyl]amino]cyclohexanecarboxylate Formula: C20H27N2O5S- MolecularWeight: 407.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3(CCCCC3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3(CCCCC3)C(=O)[O-]

InChI

InChI=1S/C20H28N2O5S/c1-15-8-3-6-13-22(15)28(26,27)17-10-7-9-16(14-17)18(23)21-20(19(24)25)11-4-2-5-12-20/h7,9-10,14-15H,2-6,8,11-13H2,1H3,(H,21,23)(H,24,25)/p-1/t15-/m0/s1