1-(3,4-dichlorophenyl)-4-(5-nitro-2-propan-2-yl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(3,4-dichlorophenyl)-4-(5-nitro-2-propan-2-yl-phenyl)sulfonyl-piperazine Openeye Name: 1-(3,4-dichlorophenyl)-4-(2-isopropyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3,4-dichlorophenyl)-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(3,4-dichlorophenyl)-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(3,4-dichlorophenyl)-4-(2-isopropyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C19H21Cl2N3O4S MolecularWeight: 458.35874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O4S/c1-13(2)16-5-3-15(24(25)26)12-19(16)29(27,28)23-9-7-22(8-10-23)14-4-6-17(20)18(21)11-14/h3-6,11-13H,7-10H2,1-2H3