phenyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylbenzoate

Systemtic Name: phenyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylbenzoate Openeye Name: phenyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]benzoic acid phenyl ester IUPAC Name: phenyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylbenzoate Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]benzoic acid phenyl ester Formula: C23H20N2O6S2 MolecularWeight: 484.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S2/c26-23(31-17-8-2-1-3-9-17)19-10-4-5-11-21(19)32-22-13-12-18(16-20(22)25(27)28)33(29,30)24-14-6-7-15-24/h1-5,8-13,16H,6-7,14-15H2