N-butyl-4-methoxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide

Systemtic Name: N-butyl-4-methoxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide Openeye Name: N-butyl-4-methoxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide CAS Name: N-butyl-4-methoxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide IUPAC Name: N-butyl-4-methoxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide Traditional Name: N-butyl-4-methoxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O5S/c1-3-4-14-21(15-8-11-17-9-6-5-7-10-17)28(25,26)18-12-13-20(27-2)19(16-18)22(23)24/h5-7,9-10,12-13,16H,3-4,8,11,14-15H2,1-2H3