2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[6-(p-tolylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl ester IUPAC Name: 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[6-(tosylamino)-2,4-dihydro-1H-s-triazin-3-yl]ethyl ester Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H24N4O5S2/c1-15-3-7-17(8-4-15)29(24,25)22-19-20-13-23(14-21-19)11-12-28-30(26,27)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H2,20,21,22)