4-chloranylbenzenesulfonic acid; 4-chloranyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

Systemtic Name: 4-chloranylbenzenesulfonic acid; 4-chloranyl-N-(pyridin-4-ylmethyl)benzenesulfonamide Openeye Name: 4-chlorobenzenesulfonic acid; 4-chloro-N-(4-pyridylmethyl)benzenesulfonamide CAS Name: 4-chlorobenzenesulfonic acid; 4-chloro-N-(pyridin-4-ylmethyl)benzenesulfonamide IUPAC Name: 4-chlorobenzenesulfonic acid; 4-chloro-N-(pyridin-4-ylmethyl)benzenesulfonamide Traditional Name: 4-chlorobesylic acid; 4-chloro-N-(4-pyridylmethyl)benzenesulfonamide Formula: C18H16Cl2N2O5S2 MolecularWeight: 475.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCC2=CC=NC=C2)Cl.C1=CC(=CC=C1S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCC2=CC=NC=C2)Cl.C1=CC(=CC=C1S(=O)(=O)O)Cl

InChI

InChI=1S/C12H11ClN2O2S.C6H5ClO3S/c13-11-1-3-12(4-2-11)18(16,17)15-9-10-5-7-14-8-6-10;7-5-1-3-6(4-2-5)11(8,9)10/h1-8,15H,9H2;1-4H,(H,8,9,10)