ethyl 5-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazino]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H22N6O7S2 MolecularWeight: 474.51188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C16H22N6O7S2/c1-3-29-16(24)12-9-18-19-15(12)31(27,28)22-6-4-21(5-7-22)30(25,26)11-8-13(14(17)23)20(2)10-11/h8-10H,3-7H2,1-2H3,(H2,17,23)(H,18,19)