[2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[(4-methoxyphenyl)carbamoylamino]ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22ClN3O7S/c1-31-16-7-5-15(6-8-16)23-21(28)24-19(26)13-32-20(27)14-4-9-17(22)18(12-14)33(29,30)25-10-2-3-11-25/h4-9,12H,2-3,10-11,13H2,1H3,(H2,23,24,26,28)