3-(4-acetamidophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-(4-acetamidophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(4-acetamidophenyl)-2-(5-morpholinosulfonyl-2-thienyl)prop-2-enoic acid CAS Name: 3-(4-acetamidophenyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(4-acetamidophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(4-acetamidophenyl)-2-(5-morpholinosulfonyl-2-thienyl)acrylic acid Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C19H20N2O6S2/c1-13(22)20-15-4-2-14(3-5-15)12-16(19(23)24)17-6-7-18(28-17)29(25,26)21-8-10-27-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)