ethyl 1-[4-(4-methanoylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-methanoylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(4-formyl-1-piperidyl)sulfonyl]phenyl]pyrazole-4-carboxylate CAS Name: 1-[4-[(4-formyl-1-piperidinyl)sulfonyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-formylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(4-formylpiperidino)sulfonylphenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C=O

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C=O

InChI

InChI=1S/C18H21N3O5S/c1-2-26-18(23)15-11-19-21(12-15)16-3-5-17(6-4-16)27(24,25)20-9-7-14(13-22)8-10-20/h3-6,11-14H,2,7-10H2,1H3