N-[(2S)-3-methyl-1-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethanoyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethanoyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-2-methyl-1-[[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-3-methyl-1-[[2-(5-methyl-1H-pyrazol-3-yl)-1-oxoethyl]hydrazo]-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-3-methyl-1-[2-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-2-methyl-1-[[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CC(=O)NNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=NN1)CC(=O)NNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H25N5O6S/c1-11(2)18(19(26)23-22-17(25)9-13-8-12(3)20-21-13)24-31(27,28)14-4-5-15-16(10-14)30-7-6-29-15/h4-5,8,10-11,18,24H,6-7,9H2,1-3H3,(H,20,21)(H,22,25)(H,23,26)/t18-/m0/s1