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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H21ClN2O6S2 MolecularWeight: 545.02704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl

InChI

InChI=1S/C25H21ClN2O6S2/c26-18-10-9-17(15-23(18)36(31,32)27-11-13-33-14-12-27)25(30)34-16-24(29)28-19-5-1-3-7-21(19)35-22-8-4-2-6-20(22)28/h1-10,15H,11-14,16H2