[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27N3O7S/c1-14-6-7-15(12-17(14)31(27,28)23-8-10-29-11-9-23)19(25)30-13-18(24)22-20(26)21-16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3,(H2,21,22,24,26)