N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H21N5O5S/c1-13-11-14(2)23-21(22-13)25-24-20(27)15-3-5-16(6-4-15)26-32(28,29)17-7-8-18-19(12-17)31-10-9-30-18/h3-8,11-12,26H,9-10H2,1-2H3,(H,24,27)(H,22,23,25)