[4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid [4-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 1-(2-thienylsulfonyl)nipecotic acid [4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O5S2/c1-19-24(26(31)30(28-19)22-8-3-2-4-9-22)17-20-11-13-23(14-12-20)35-27(32)21-7-5-15-29(18-21)37(33,34)25-10-6-16-36-25/h2-4,6,8-14,16-17,21H,5,7,15,18H2,1H3/b24-17-