1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-isopropylpyrazol-3-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-propan-2-yl-3-pyrazolyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-isopropylpyrazol-3-yl)isonipecotamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

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