(3-chlorophenyl) N-[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoyl]sulfamate

Systemtic Name: (3-chlorophenyl) N-[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoyl]sulfamate Openeye Name: (3-chlorophenyl) N-[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoyl]sulfamate CAS Name: N-[[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) N-[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoyl]sulfamate Traditional Name: N-[(4-ethoxy-6-phenyl-s-triazin-2-yl)carbamoyl]sulfamic acid (3-chlorophenyl) ester Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)OC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)OC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClN5O5S/c1-2-28-18-21-15(12-7-4-3-5-8-12)20-16(23-18)22-17(25)24-30(26,27)29-14-10-6-9-13(19)11-14/h3-11H,2H2,1H3,(H2,20,21,22,23,24,25)