[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H21N3O6S/c1-2-17-16(22)18-14(20)11-25-15(21)12-5-7-13(8-6-12)26(23,24)19-9-3-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,17,18,20,22)