[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5S/c1-3-4-13(17)20-8-12(16)15-11-7-9(21(2,18)19)5-6-10(11)14/h3-7H,8H2,1-2H3,(H,15,16)/b4-3+