N4-[(2S)-butan-2-yl]-N1-(6-ethanoyl-1,3-benzodioxol-5-yl)benzene-1,4-disulfonamide

Systemtic Name: N4-[(2S)-butan-2-yl]-N1-(6-ethanoyl-1,3-benzodioxol-5-yl)benzene-1,4-disulfonamide Openeye Name: N1-(6-acetyl-1,3-benzodioxol-5-yl)-N4-[(1S)-1-methylpropyl]benzene-1,4-disulfonamide CAS Name: N1-(6-acetyl-1,3-benzodioxol-5-yl)-N4-[(2S)-butan-2-yl]benzene-1,4-disulfonamide IUPAC Name: 1-N-(6-acetyl-1,3-benzodioxol-5-yl)-4-N-[(2S)-butan-2-yl]benzene-1,4-disulfonamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-[(1S)-1-methylpropyl]benzene-1,4-disulfonamide Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C19H22N2O7S2/c1-4-12(2)20-29(23,24)14-5-7-15(8-6-14)30(25,26)21-17-10-19-18(27-11-28-19)9-16(17)13(3)22/h5-10,12,20-21H,4,11H2,1-3H3/t12-/m0/s1