N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-mesyl-isonipecotamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H28N4O3S/c1-15-14-16(2)24(22-15)19-6-4-17(5-7-19)8-11-21-20(25)18-9-12-23(13-10-18)28(3,26)27/h4-7,14,18H,8-13H2,1-3H3,(H,21,25)