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

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O6S/c1-3-20-18(25)21-16(23)12(2)28-17(24)14-11-13(7-8-15(14)19)29(26,27)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,20,21,23,25)