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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C15H18ClN3O6S MolecularWeight: 403.83792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H18ClN3O6S/c1-9(13(20)18-15(17)22)25-14(21)10-4-5-11(16)12(8-10)26(23,24)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3,(H3,17,18,20,22)