1-(2,5-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-15-7-8-16(2)20(13-15)28(26,27)22-11-9-21(10-12-22)17(3)18-5-4-6-19(14-18)23(24)25/h4-8,13-14,17H,9-12H2,1-3H3