[1-[2-(4-sulfamoylphenyl)ethyliminomethyl]naphthalen-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[2-(4-sulfamoylphenyl)ethyliminomethyl]naphthalen-2-yl] 3-nitrobenzoate Openeye Name: [1-[2-(4-sulfamoylphenyl)ethyliminomethyl]-2-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[2-(4-sulfamoylphenyl)ethyliminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[2-(4-sulfamoylphenyl)ethyliminomethyl]naphthalen-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[2-(4-sulfamoylphenyl)ethyliminomethyl]-2-naphthyl] ester Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=NCCC3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NCCC3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O6S/c27-36(33,34)22-11-8-18(9-12-22)14-15-28-17-24-23-7-2-1-4-19(23)10-13-25(24)35-26(30)20-5-3-6-21(16-20)29(31)32/h1-13,16-17H,14-15H2,(H2,27,33,34)