[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

C/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C16H19ClN2O5S/c1-2-5-16(21)24-11-15(20)18-14-10-12(6-7-13(14)17)25(22,23)19-8-3-4-9-19/h2,5-7,10H,3-4,8-9,11H2,1H3,(H,18,20)/b5-2+