1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-nitro-3-pyrrolidino-phenyl)piperazine Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4)OC

InChI

InChI=1S/C22H28N4O6S/c1-31-21-8-6-18(16-22(21)32-2)33(29,30)25-13-11-23(12-14-25)17-5-7-19(26(27)28)20(15-17)24-9-3-4-10-24/h5-8,15-16H,3-4,9-14H2,1-2H3