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

Systemtic Name: 4-[4-chloranyl-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid Openeye Name: 4-[4-(1-benzyloxyethyl)-6-chloro-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid CAS Name: 4-[4-chloro-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]-1-piperazinesulfonic acid IUPAC Name: 4-[4-chloro-6-(1-phenylmethoxyethyl)-1,3,5-triazin-2-yl]piperazine-1-sulfonic acid Traditional Name: 4-[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)Cl)N2CCN(CC2)S(=O)(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=NC(=NC(=N1)Cl)N2CCN(CC2)S(=O)(=O)O)OCC3=CC=CC=C3

InChI

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