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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C16H20ClN3O6S MolecularWeight: 417.8645

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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)N2CCCCC2

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H20ClN3O6S/c1-10(14(21)19-16(18)23)26-15(22)11-5-6-12(17)13(9-11)27(24,25)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H3,18,19,21,23)