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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H20N4O7S2 MolecularWeight: 528.5575

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O7S2/c1-24-16-11-10-15(12-19(16)27(30)31)36(32,33)25-13-23(29)34-14-22(28)26-17-6-2-4-8-20(17)35-21-9-5-3-7-18(21)26/h2-12,24-25H,13-14H2,1H3