3-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: 3-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: 3-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylate IUPAC Name: 3-[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazino]sulfonyl-2-thenoate Formula: C15H17N4O7S3- MolecularWeight: 461.51308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)[O-]

InChI

InChI=1S/C15H18N4O7S3/c1-17-9-10(8-11(17)14(16)20)28(23,24)18-3-5-19(6-4-18)29(25,26)12-2-7-27-13(12)15(21)22/h2,7-9H,3-6H2,1H3,(H2,16,20)(H,21,22)/p-1