O1-ethyl O4-[(3-morpholin-4-ylsulfonylphenyl)methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(3-morpholin-4-ylsulfonylphenyl)methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(3-morpholinosulfonylphenyl)methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[[3-(4-morpholinylsulfonyl)phenyl]methyl] ester IUPAC Name: 1-O-ethyl 4-O-[(3-morpholin-4-ylsulfonylphenyl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-(3-morpholinosulfonylbenzyl) ester Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H21NO7S/c1-2-24-16(19)6-7-17(20)25-13-14-4-3-5-15(12-14)26(21,22)18-8-10-23-11-9-18/h3-7,12H,2,8-11,13H2,1H3/b7-6+