methyl 5-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)propyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C19H26N4O5S2/c1-13-16(14(2)21(3)20-13)5-6-17(24)22-7-9-23(10-8-22)30(26,27)18-11-15(12-29-18)19(25)28-4/h11-12H,5-10H2,1-4H3