N-(4-butylphenyl)-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-(4-butylphenyl)-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(4-butylphenyl)-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-(4-butylphenyl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-3-4-5-13-6-8-14(9-7-13)18-25(22,23)15-10-11-17(24-2)16(12-15)19(20)21/h6-12,18H,3-5H2,1-2H3