N-[3-methyl-5-[2-(pyridin-1-ium-4-ylamino)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: N-[3-methyl-5-[2-(pyridin-1-ium-4-ylamino)ethoxy]phenyl]benzenesulfonamide Openeye Name: N-[3-methyl-5-[2-(pyridin-1-ium-4-ylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: N-[3-methyl-5-[2-(4-pyridin-1-iumylamino)ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-[3-methyl-5-[2-(pyridin-1-ium-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: N-[3-methyl-5-[2-(pyridin-1-ium-4-ylamino)ethoxy]phenyl]benzenesulfonamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC2=CC=[NH+]C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC2=CC=[NH+]C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1