[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H23ClN2O5S/c1-12(17(22)20-13-5-6-13)26-18(23)15-11-14(7-8-16(15)19)27(24,25)21-9-3-2-4-10-21/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,22)/t12-/m1/s1