5-ethynyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylic acid

Systemtic Name: 5-ethynyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylic acid Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-thiophene-3-carboxylic acid CAS Name: 5-ethynyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-ethynylthiophene-3-carboxylic acid Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-3-thenoic acid Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(S3)C#C)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(S3)C#C)C(=O)O

InChI

InChI=1S/C21H17NO5S2/c1-3-17-13-19(21(23)24)20(28-17)22(14-15-7-5-4-6-8-15)29(25,26)18-11-9-16(27-2)10-12-18/h1,4-13H,14H2,2H3,(H,23,24)