N-[(1S)-1-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(1S)-1-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(1S)-1-[5-methyl-1-(2-pyridinyl)-4-pyrazolyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)[C@H](C)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20N4O4S/c1-13(16-12-21-23(14(16)2)19-5-3-4-8-20-19)22-28(24,25)15-6-7-17-18(11-15)27-10-9-26-17/h3-8,11-13,22H,9-10H2,1-2H3/t13-/m0/s1