N-[3-[[5-methoxy-2-(oxan-4-ylmethyl)phenyl]amino]quinoxalin-2-yl]pyridine-3-sulfonamide

Systemtic Name: N-[3-[[5-methoxy-2-(oxan-4-ylmethyl)phenyl]amino]quinoxalin-2-yl]pyridine-3-sulfonamide Openeye Name: N-[3-[5-methoxy-2-(tetrahydropyran-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide CAS Name: N-[3-[5-methoxy-2-(4-oxanylmethyl)anilino]-2-quinoxalinyl]-3-pyridinesulfonamide IUPAC Name: N-[3-[5-methoxy-2-(oxan-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide Traditional Name: N-[3-[5-methoxy-2-(tetrahydropyran-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2CCOCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)CC2CCOCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C26H27N5O4S/c1-34-20-9-8-19(15-18-10-13-35-14-11-18)24(16-20)30-25-26(29-23-7-3-2-6-22(23)28-25)31-36(32,33)21-5-4-12-27-17-21/h2-9,12,16-18H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)