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

Systemtic Name: 2-[6-[(4-acetamidophenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[6-[(4-acetamidophenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[6-[(4-acetamidophenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl ester IUPAC Name: 2-[6-[(4-acetamidophenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[6-[(4-acetamidophenyl)sulfonylamino]-2,4-dihydro-1H-s-triazin-3-yl]ethyl ester Formula: C20H22N6O7S MolecularWeight: 490.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O7S/c1-14(27)23-16-4-8-18(9-5-16)34(31,32)24-20-21-12-25(13-22-20)10-11-33-19(28)15-2-6-17(7-3-15)26(29)30/h2-9H,10-13H2,1H3,(H,23,27)(H2,21,22,24)