methyl 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H21N3O6S2/c1-26-13-3-5-14(6-4-13)29(24,25)21-10-8-20(9-11-21)18(23)19-15-7-12-28-16(15)17(22)27-2/h3-7,12H,8-11H2,1-2H3,(H,19,23)