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

Systemtic Name: 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[6-(p-tolylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[6-(tosylamino)-2,4-dihydro-1H-s-triazin-3-yl]ethyl ester Formula: C19H21N5O6S MolecularWeight: 447.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6S/c1-14-2-8-17(9-3-14)31(28,29)22-19-20-12-23(13-21-19)10-11-30-18(25)15-4-6-16(7-5-15)24(26)27/h2-9H,10-13H2,1H3,(H2,20,21,22)