N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H28N2O7S/c1-6-29-19-10-8-15(12-20(19)30-7-2)21(14(3)4)22-31(26,27)16-9-11-18(28-5)17(13-16)23(24)25/h8-14,21-22H,6-7H2,1-5H3