[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H17ClN4O5S MolecularWeight: 412.84798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O5S/c17-15-12(4-3-5-18-15)20-14(22)10-26-16(23)13-8-11(9-19-13)27(24,25)21-6-1-2-7-21/h3-5,8-9,19H,1-2,6-7,10H2,(H,20,22)