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

Systemtic Name: 5-ethynyl-2-[(4-methoxyphenyl)sulfonylamino]-4-(phenylmethyl)thiophene-3-carboxylic acid Openeye Name: 4-benzyl-5-ethynyl-2-[(4-methoxyphenyl)sulfonylamino]thiophene-3-carboxylic acid CAS Name: 5-ethynyl-2-[(4-methoxyphenyl)sulfonylamino]-4-(phenylmethyl)-3-thiophenecarboxylic acid IUPAC Name: 4-benzyl-5-ethynyl-2-[(4-methoxyphenyl)sulfonylamino]thiophene-3-carboxylic acid Traditional Name: 4-benzyl-5-ethynyl-2-[(4-methoxyphenyl)sulfonylamino]-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)NC2=C(C(=C(S2)C#C)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(S2)C#C)CC3=CC=CC=C3)C(=O)O

InChI

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