4-[[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(E)-3-(5-methyl-2-thienyl)acryloyl]phenyl]sulfonylamino]benzoic acid Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17NO5S2/c1-14-2-9-18(28-14)10-13-20(23)15-5-11-19(12-6-15)29(26,27)22-17-7-3-16(4-8-17)21(24)25/h2-13,22H,1H3,(H,24,25)/b13-10+