N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-homoveratryl-3-nitro-benzenesulfonamide Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O6S/c1-23-15-7-6-12(10-16(15)24-2)8-9-17-25(21,22)14-5-3-4-13(11-14)18(19)20/h3-7,10-11,17H,8-9H2,1-2H3