4-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4-morpholinosulfonylphenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(4-morpholinosulfonylphenyl)prop-1-enyl]benzoic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19NO6S/c22-19(10-3-15-1-4-17(5-2-15)20(23)24)16-6-8-18(9-7-16)28(25,26)21-11-13-27-14-12-21/h1-10H,11-14H2,(H,23,24)/b10-3+