6-[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[2-[(4-chlorophenyl)methylthio]ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[2-[(4-chlorobenzyl)thio]ethylamino]pyridin-1-ium-3-sulfonamide Formula: C14H17ClN3O2S2+ MolecularWeight: 358.88668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H16ClN3O2S2/c15-12-3-1-11(2-4-12)10-21-8-7-17-14-6-5-13(9-18-14)22(16,19)20/h1-6,9H,7-8,10H2,(H,17,18)(H2,16,19,20)/p+1