N-(1,3-benzodioxol-5-yl)-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]isonipecotamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4S/c1-17-25(18(2)30(28-17)21-6-4-3-5-7-21)35-15-24(31)29-12-10-19(11-13-29)26(32)27-20-8-9-22-23(14-20)34-16-33-22/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,27,32)