methyl 5-ethynyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethynyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylate Openeye Name: methyl 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-thiophene-3-carboxylate CAS Name: 5-ethynyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-ethynylthiophene-3-carboxylate Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19NO5S2 MolecularWeight: 441.51996

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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)OC)C#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(SC=C3C(=O)OC)C#C

InChI

InChI=1S/C22H19NO5S2/c1-4-20-21(19(15-29-20)22(24)28-3)23(14-16-8-6-5-7-9-16)30(25,26)18-12-10-17(27-2)11-13-18/h1,5-13,15H,14H2,2-3H3