(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H19BrN2O5S2 MolecularWeight: 595.48416

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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)Br

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)Br

InChI

InChI=1S/C27H19BrN2O5S2/c28-19-11-15-21(16-12-19)37(33,34)29-20-13-9-18(10-14-20)27(32)35-17-26(31)30-22-5-1-3-7-24(22)36-25-8-4-2-6-23(25)30/h1-16,29H,17H2