2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC(=O)NCC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O5S/c1-24(31(27,28)18-7-8-19-20(11-18)30-10-9-29-19)15-21(26)22-12-16-13-23-25(14-16)17-5-3-2-4-6-17/h2-8,11,13-14H,9-10,12,15H2,1H3,(H,22,26)