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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidino-phenyl)piperazine Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4)C

InChI

InChI=1S/C22H28N4O4S/c1-17-5-7-20(15-18(17)2)31(29,30)25-13-11-23(12-14-25)19-6-8-21(26(27)28)22(16-19)24-9-3-4-10-24/h5-8,15-16H,3-4,9-14H2,1-2H3