methyl 5-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]thiophene-3-carboxylate

Systemtic Name: methyl 5-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]thiophene-3-carboxylate Openeye Name: methyl 5-bromo-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]thiophene-3-carboxylate CAS Name: 5-bromo-4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]thiophene-3-carboxylate Traditional Name: 5-bromo-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C19H17BrN2O5S2 MolecularWeight: 497.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O5S2/c1-26-14-5-7-15(8-6-14)29(24,25)22(11-13-4-3-9-21-10-13)17-16(19(23)27-2)12-28-18(17)20/h3-10,12H,11H2,1-2H3