[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O7S/c1-29-16-9-8-14(12-17(16)31(27,28)23-10-4-5-11-23)19(25)30-13-18(24)22-20(26)21-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11,13H2,1H3,(H2,21,22,24,26)