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

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(3-pyrrolidin-1-ylbutyl)ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(3-pyrrolidin-1-ylbutyl)acetamide CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-N-[3-(1-pyrrolidinyl)butyl]acetamide IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-(3-pyrrolidin-1-ylbutyl)acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(3-pyrrolidinobutyl)acetamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CS(=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)N4CCCC4

Isomeric SMILES

CC(CCNC(=O)CS(=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)N4CCCC4

InChI

InChI=1S/C24H31N5O2S/c1-20(27-13-5-6-14-27)11-12-25-23(30)19-32(31)18-21-17-26-29(22-9-3-2-4-10-22)24(21)28-15-7-8-16-28/h2-4,7-10,15-17,20H,5-6,11-14,18-19H2,1H3,(H,25,30)