[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H25ClN2O5S/c1-13(18(23)21-15-6-2-3-7-15)27-19(24)14-8-9-16(20)17(12-14)28(25,26)22-10-4-5-11-22/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,21,23)