(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H23ClN2O5S2 MolecularWeight: 543.05422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl

InChI

InChI=1S/C26H23ClN2O5S2/c27-19-13-12-18(16-24(19)36(32,33)28-14-6-1-7-15-28)26(31)34-17-25(30)29-20-8-2-4-10-22(20)35-23-11-5-3-9-21(23)29/h2-5,8-13,16H,1,6-7,14-15,17H2