4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-(homoveratrylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C22H31N5O6S MolecularWeight: 493.57644

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H31N5O6S/c1-24(2)34(30,31)26-13-11-25(12-14-26)18-6-7-20(27(28)29)19(16-18)23-10-9-17-5-8-21(32-3)22(15-17)33-4/h5-8,15-16,23H,9-14H2,1-4H3