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

Systemtic Name: methyl 5-bromanyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophene-3-carboxylate Openeye Name: methyl 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-bromo-thiophene-3-carboxylate CAS Name: 5-bromo-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-bromothiophene-3-carboxylate Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-bromo-thiophene-3-carboxylic acid methyl ester Formula: C20H18BrNO5S2 MolecularWeight: 496.39462

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO5S2/c1-26-15-8-10-16(11-9-15)29(24,25)22(12-14-6-4-3-5-7-14)18-17(20(23)27-2)13-28-19(18)21/h3-11,13H,12H2,1-2H3