methyl 5-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(S1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=C(S1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15N3O5S2/c1-19(26(22,23)12-5-3-11(9-17)4-6-12)10-14(20)18-15-8-7-13(25-15)16(21)24-2/h3-8H,10H2,1-2H3,(H,18,20)