[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H17Cl2N3O5S MolecularWeight: 458.31568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O5S/c19-13-4-6-16(21-10-13)22-17(24)11-28-18(25)12-3-5-14(20)15(9-12)29(26,27)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,21,22,24)