(E)-but-2-enedioic acid; 5-[3-(ethylamino)-3-phenyl-propyl]sulfonylthiophene-2-sulfonamide

Systemtic Name: (E)-but-2-enedioic acid; 5-[3-(ethylamino)-3-phenyl-propyl]sulfonylthiophene-2-sulfonamide Openeye Name: 5-[3-(ethylamino)-3-phenyl-propyl]sulfonylthiophene-2-sulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[3-(ethylamino)-3-phenylpropyl]sulfonyl-2-thiophenesulfonamide IUPAC Name: (E)-but-2-enedioic acid; 5-[3-(ethylamino)-3-phenylpropyl]sulfonylthiophene-2-sulfonamide Traditional Name: 5-[3-(ethylamino)-3-phenyl-propyl]sulfonylthiophene-2-sulfonamide; fumaric acid Formula: C19H24N2O8S3 MolecularWeight: 504.59746

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CCS(=O)(=O)C1=CC=C(S1)S(=O)(=O)N)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC(CCS(=O)(=O)C1=CC=C(S1)S(=O)(=O)N)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N2O4S3.C4H4O4/c1-2-17-13(12-6-4-3-5-7-12)10-11-23(18,19)14-8-9-15(22-14)24(16,20)21;5-3(6)1-2-4(7)8/h3-9,13,17H,2,10-11H2,1H3,(H2,16,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+