[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1R)-2-keto-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

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