O4-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C18H21ClN2O8S MolecularWeight: 460.88594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

InChI

InChI=1S/C18H21ClN2O8S/c1-2-28-17(23)5-6-18(24)29-12-16(22)20-15-11-13(3-4-14(15)19)30(25,26)21-7-9-27-10-8-21/h3-6,11H,2,7-10,12H2,1H3,(H,20,22)/b6-5+