2-[4-chloranyl-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid

Systemtic Name: 2-[4-chloranyl-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid Openeye Name: 2-[4-(1-benzyloxyethyl)-6-chloro-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid CAS Name: 2-[4-chloro-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]-1-piperazinesulfonic acid IUPAC Name: 2-[4-chloro-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid Traditional Name: 2-[4-(1-benzoxyethyl)-6-chloro-s-triazin-2-yl]piperazine-1-sulfonic acid Formula: C16H20ClN5O4S MolecularWeight: 413.8791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)C2CNCCN2S(=O)(=O)O)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=NC(=NC(=N1)C2CNCCN2S(=O)(=O)O)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C16H20ClN5O4S/c1-11(26-10-12-5-3-2-4-6-12)14-19-15(21-16(17)20-14)13-9-18-7-8-22(13)27(23,24)25/h2-6,11,13,18H,7-10H2,1H3,(H,23,24,25)