N-[3-[(4-butylphenyl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[(4-butylphenyl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(4-butylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(4-butylanilino)-2-quinoxalinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(4-butylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(4-butylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H26N4O4S/c1-2-3-6-18-9-11-19(12-10-18)27-25-26(29-22-8-5-4-7-21(22)28-25)30-35(31,32)20-13-14-23-24(17-20)34-16-15-33-23/h4-5,7-14,17H,2-3,6,15-16H2,1H3,(H,27,28)(H,29,30)