N-[(E)-[3-methyl-2-[(pyridin-4-ylcarbonylamino)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzenesulfonamide

Systemtic Name: N-[(E)-[3-methyl-2-[(pyridin-4-ylcarbonylamino)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzenesulfonamide Openeye Name: N-[(E)-[3-methyl-2-[(pyridine-4-carbonylamino)carbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]benzenesulfonamide CAS Name: N-[(E)-[3-methyl-2-[oxo-[[oxo(pyridin-4-yl)methyl]hydrazo]methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]benzenesulfonamide IUPAC Name: N-[(E)-[3-methyl-2-[(pyridine-4-carbonylamino)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzenesulfonamide Traditional Name: N-[(E)-[2-(isonicotinamidocarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]benzenesulfonamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNS(=O)(=O)C3=CC=CC=C3)CCC2)C(=O)NNC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NS(=O)(=O)C3=CC=CC=C3)/CCC2)C(=O)NNC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5O5S/c1-14-19-17(24-27-33(30,31)16-6-3-2-4-7-16)8-5-9-18(19)32-20(14)22(29)26-25-21(28)15-10-12-23-13-11-15/h2-4,6-7,10-13,27H,5,8-9H2,1H3,(H,25,28)(H,26,29)/b24-17+