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

Systemtic Name: N-[(4-butoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[(4-butoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[(4-butoxyphenyl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-(4-butoxybenzyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C27H30N4O3S/c1-2-3-17-34-25-13-11-22(12-14-25)18-28-26(32)21-35(33)20-23-19-29-31(24-9-5-4-6-10-24)27(23)30-15-7-8-16-30/h4-16,19H,2-3,17-18,20-21H2,1H3,(H,28,32)