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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(3-aminophenyl)sulfonylamino]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(3-aminophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-aminophenyl)sulfonylamino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[(3-aminophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-aminophenyl)sulfonylamino]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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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

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

InChI

InChI=1S/C27H21N3O5S2/c28-18-8-7-9-19(16-18)37(33,34)29-21-11-2-1-10-20(21)27(32)35-17-26(31)30-22-12-3-5-14-24(22)36-25-15-6-4-13-23(25)30/h1-16,29H,17,28H2