[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CCCC3)C

InChI

InChI=1S/C21H30N2O5S/c1-15-10-16(2)13-23(12-15)29(26,27)19-9-5-6-17(11-19)21(25)28-14-20(24)22-18-7-3-4-8-18/h5-6,9,11,15-16,18H,3-4,7-8,10,12-14H2,1-2H3,(H,22,24)/t15-,16-/m1/s1