(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H18ClN3O7S2 MolecularWeight: 596.03072

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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=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H18ClN3O7S2/c28-20-14-13-19(15-23(20)31(34)35)40(36,37)29-18-11-9-17(10-12-18)27(33)38-16-26(32)30-21-5-1-3-7-24(21)39-25-8-4-2-6-22(25)30/h1-15,29H,16H2