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

Systemtic Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine Openeye Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-(3,4-dichlorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidino-phenyl)piperazine Formula: C20H22Cl2N4O4S MolecularWeight: 485.38408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22Cl2N4O4S/c21-17-5-4-16(14-18(17)22)31(29,30)25-11-9-23(10-12-25)15-3-6-19(26(27)28)20(13-15)24-7-1-2-8-24/h3-6,13-14H,1-2,7-12H2