2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(2-piperidin-1-ylethyl)ethanamide

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(2-piperidinoethyl)acetamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2S/c29-22(24-11-16-26-12-5-2-6-13-26)19-31(30)18-20-17-25-28(21-9-3-1-4-10-21)23(20)27-14-7-8-15-27/h1,3-4,7-10,14-15,17H,2,5-6,11-13,16,18-19H2,(H,24,29)