[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid [(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3CCCC3)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@@H](C)C(=O)NC3CCCC3)Cl

InChI

InChI=1S/C21H29ClN2O5S/c1-14-6-5-11-24(13-14)30(27,28)19-12-16(9-10-18(19)22)21(26)29-15(2)20(25)23-17-7-3-4-8-17/h9-10,12,14-15,17H,3-8,11,13H2,1-2H3,(H,23,25)/t14-,15-/m0/s1