1-[2-[3,5-bis(chloranyl)phenyl]sulfanyl-5-nitro-phenyl]sulfonyl-4-pyrrolidin-1-yl-piperidine

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenyl]sulfanyl-5-nitro-phenyl]sulfonyl-4-pyrrolidin-1-yl-piperidine Openeye Name: 1-[2-(3,5-dichlorophenyl)sulfanyl-5-nitro-phenyl]sulfonyl-4-pyrrolidin-1-yl-piperidine CAS Name: 1-[2-[(3,5-dichlorophenyl)thio]-5-nitrophenyl]sulfonyl-4-(1-pyrrolidinyl)piperidine IUPAC Name: 1-[2-(3,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-pyrrolidin-1-ylpiperidine Traditional Name: 1-[2-[(3,5-dichlorophenyl)thio]-5-nitro-phenyl]sulfonyl-4-pyrrolidino-piperidine Formula: C21H23Cl2N3O4S2 MolecularWeight: 516.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S2/c22-15-11-16(23)13-19(12-15)31-20-4-3-18(26(27)28)14-21(20)32(29,30)25-9-5-17(6-10-25)24-7-1-2-8-24/h3-4,11-14,17H,1-2,5-10H2