N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-esyl-isonipecotamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H28N4O3S/c1-4-28(26,27)23-12-10-17(11-13-23)20(25)21-14-19-15(2)22-24(16(19)3)18-8-6-5-7-9-18/h5-9,17H,4,10-14H2,1-3H3,(H,21,25)