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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]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=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

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