ethyl 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetyl]isonipecotic acid ethyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H28N4O4S/c1-2-32-24(30)19-10-14-26(15-11-19)22(29)18-33(31)17-20-16-25-28(21-8-4-3-5-9-21)23(20)27-12-6-7-13-27/h3-9,12-13,16,19H,2,10-11,14-15,17-18H2,1H3