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

Systemtic Name: 2-[6-(butylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[6-(butylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[6-(butylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl ester IUPAC Name: 2-[6-(butylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[6-(butylsulfonylamino)-2,4-dihydro-1H-s-triazin-3-yl]ethyl ester Formula: C16H23N5O6S MolecularWeight: 413.44872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=NCN(CN1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC1=NCN(CN1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O6S/c1-2-3-10-28(25,26)19-16-17-11-20(12-18-16)8-9-27-15(22)13-4-6-14(7-5-13)21(23)24/h4-7H,2-3,8-12H2,1H3,(H2,17,18,19)