[1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H19Cl2N3O5S MolecularWeight: 472.34226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H19Cl2N3O5S/c1-12(18(25)23-17-16(21)10-14(20)11-22-17)29-19(26)13-4-6-15(7-5-13)30(27,28)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,23,25)