5-ethynyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-N-oxidanyl-thiophene-3-carboxamide

Systemtic Name: 5-ethynyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-N-oxidanyl-thiophene-3-carboxamide Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-thiophene-3-carbohydroxamic acid CAS Name: 5-ethynyl-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-thiophenecarboxamide IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-ethynyl-N-hydroxythiophene-3-carboxamide Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-thiophene-3-carbohydroxamic acid Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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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(SC=C3C(=O)NO)C#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(SC=C3C(=O)NO)C#C

InChI

InChI=1S/C21H18N2O5S2/c1-3-19-20(18(14-29-19)21(24)22-25)23(13-15-7-5-4-6-8-15)30(26,27)17-11-9-16(28-2)10-12-17/h1,4-12,14,25H,13H2,2H3,(H,22,24)