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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H21ClN2O5S2 MolecularWeight: 577.07044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)Cl

InChI

InChI=1S/C29H21ClN2O5S2/c30-21-14-13-20(17-27(21)39(35,36)31-16-15-19-7-1-2-8-22(19)31)29(34)37-18-28(33)32-23-9-3-5-11-25(23)38-26-12-6-4-10-24(26)32/h1-14,17H,15-16,18H2