1-butyl-3-(4-imidazol-1-ylphenoxy)naphthalene-2-sulfonamide

Systemtic Name: 1-butyl-3-(4-imidazol-1-ylphenoxy)naphthalene-2-sulfonamide Openeye Name: 1-butyl-3-(4-imidazol-1-ylphenoxy)naphthalene-2-sulfonamide CAS Name: 1-butyl-3-[4-(1-imidazolyl)phenoxy]-2-naphthalenesulfonamide IUPAC Name: 1-butyl-3-(4-imidazol-1-ylphenoxy)naphthalene-2-sulfonamide Traditional Name: 1-butyl-3-(4-imidazol-1-ylphenoxy)naphthalene-2-sulfonamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC2=CC=CC=C21)OC3=CC=C(C=C3)N4C=CN=C4)S(=O)(=O)N

Isomeric SMILES

CCCCC1=C(C(=CC2=CC=CC=C21)OC3=CC=C(C=C3)N4C=CN=C4)S(=O)(=O)N

InChI

InChI=1S/C23H23N3O3S/c1-2-3-7-21-20-8-5-4-6-17(20)15-22(23(21)30(24,27)28)29-19-11-9-18(10-12-19)26-14-13-25-16-26/h4-6,8-16H,2-3,7H2,1H3,(H2,24,27,28)