N-[4-[(pyridin-3-ylcarbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[(pyridin-3-ylcarbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(nicotinamidocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H18N4O6S/c26-20(23-24-21(27)15-2-1-9-22-13-15)14-3-5-16(6-4-14)25-32(28,29)17-7-8-18-19(12-17)31-11-10-30-18/h1-9,12-13,25H,10-11H2,(H,23,26)(H,24,27)