2-[(E)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-[(E)-2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 2-[(E)-2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-[(E)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-[(E)-2-[(4-anilino-6-morpholino-s-triazin-2-yl)amino]-2-(2-sulfophenyl)vinyl]besylic acid Formula: C27H26N6O7S2 MolecularWeight: 610.66134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC(=CC3=CC=CC=C3S(=O)(=O)O)C4=CC=CC=C4S(=O)(=O)O)NC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)N/C(=C/C3=CC=CC=C3S(=O)(=O)O)/C4=CC=CC=C4S(=O)(=O)O)NC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O7S2/c34-41(35,36)23-12-6-4-8-19(23)18-22(21-11-5-7-13-24(21)42(37,38)39)29-26-30-25(28-20-9-2-1-3-10-20)31-27(32-26)33-14-16-40-17-15-33/h1-13,18H,14-17H2,(H,34,35,36)(H,37,38,39)(H2,28,29,30,31,32)/b22-18+