N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-(pyridin-2-ylmethyl)benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-(pyridin-2-ylmethyl)benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-4-hydroxy-N3-(2-pyridylmethyl)benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-4-hydroxy-N3-(2-pyridinylmethyl)benzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-4-hydroxy-3-N-(pyridin-2-ylmethyl)benzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-hydroxy-N'-(2-pyridylmethyl)benzene-1,3-disulfonamide Formula: C19H18ClN3O5S2 MolecularWeight: 467.94632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C19H18ClN3O5S2/c1-13-16(20)6-4-7-17(13)23-29(25,26)15-8-9-18(24)19(11-15)30(27,28)22-12-14-5-2-3-10-21-14/h2-11,22-24H,12H2,1H3