(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H22N2O5S2/c28-24(27-20-10-1-3-12-22(20)33-23-13-4-2-11-21(23)27)17-32-25(29)18-8-7-9-19(16-18)34(30,31)26-14-5-6-15-26/h1-4,7-13,16H,5-6,14-15,17H2