N-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide

Systemtic Name: N-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide Openeye Name: N-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxy-propyl]-N-(p-tolyl)naphthalene-2-sulfonamide CAS Name: N-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxypropyl]-N-(4-methylphenyl)-2-naphthalenesulfonamide IUPAC Name: N-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxypropyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide Traditional Name: N-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxy-propyl]-N-(p-tolyl)naphthalene-2-sulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[N+]2=C(C=C(N2)C)C)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[N+]2=C(C=C(N2)C)C)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O3S/c1-18-8-11-23(12-9-18)28(17-24(29)16-27-20(3)14-19(2)26-27)32(30,31)25-13-10-21-6-4-5-7-22(21)15-25/h4-15,24,29H,16-17H2,1-3H3/p+1