N-(4,6-diacetamido-1,3,5-triazin-2-yl)-N'-(2-methoxycarbonylphenyl)sulfonyl-carbamimidate

Systemtic Name: N-(4,6-diacetamido-1,3,5-triazin-2-yl)-N'-(2-methoxycarbonylphenyl)sulfonyl-carbamimidate Openeye Name: N-(4,6-diacetamido-1,3,5-triazin-2-yl)-N'-(2-methoxycarbonylphenyl)sulfonyl-carbamimidate CAS Name: N-(4,6-diacetamido-1,3,5-triazin-2-yl)-N'-(2-methoxycarbonylphenyl)sulfonylcarbamimidate IUPAC Name: N-(4,6-diacetamido-1,3,5-triazin-2-yl)-N'-(2-methoxycarbonylphenyl)sulfonylcarbamimidate Traditional Name: N'-(2-carbomethoxyphenyl)sulfonyl-N-(4,6-diacetamido-s-triazin-2-yl)carbamimidate Formula: C16H16N7O7S- MolecularWeight: 450.40594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2C(=O)OC)[O-])NC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2C(=O)OC)[O-])NC(=O)C

InChI

InChI=1S/C16H17N7O7S/c1-8(24)17-13-19-14(18-9(2)25)21-15(20-13)22-16(27)23-31(28,29)11-7-5-4-6-10(11)12(26)30-3/h4-7H,1-3H3,(H4,17,18,19,20,21,22,23,24,25,27)/p-1