N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-isonipecotamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H28N4O5S/c1-14-20(15(2)24(3)23-14)31(27,28)25-10-8-16(9-11-25)21(26)22-12-17-13-29-18-6-4-5-7-19(18)30-17/h4-7,16-17H,8-13H2,1-3H3,(H,22,26)