(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[(4-nitrophenyl)sulfamoyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[(4-nitrophenyl)sulfamoyl]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H19N3O7S2 MolecularWeight: 561.58566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O7S2/c31-26(29-22-8-1-3-10-24(22)38-25-11-4-2-9-23(25)29)17-37-27(32)18-6-5-7-21(16-18)39(35,36)28-19-12-14-20(15-13-19)30(33)34/h1-16,28H,17H2