5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-mesylphenyl)ethyl]-1H-pyrazole-4-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O5S/c1-13(14-3-6-16(7-4-14)30(2,26)27)23-21(25)17-12-22-24-20(17)15-5-8-18-19(11-15)29-10-9-28-18/h3-8,11-13H,9-10H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1