N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide

Systemtic Name: N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[3-(2-methyl-1-piperidyl)propyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[3-(2-methyl-1-piperidinyl)propyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-[3-(2-methylpiperidino)propyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H33N5O2S/c1-21-10-5-6-14-28(21)17-9-13-26-24(31)20-33(32)19-22-18-27-30(23-11-3-2-4-12-23)25(22)29-15-7-8-16-29/h2-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14,17,19-20H2,1H3,(H,26,31)