(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C32H30N2O5S2 MolecularWeight: 586.721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C32H30N2O5S2/c1-21-13-16-23(32(2,3)4)19-29(21)41(37,38)33-24-17-14-22(15-18-24)31(36)39-20-30(35)34-25-9-5-7-11-27(25)40-28-12-8-6-10-26(28)34/h5-19,33H,20H2,1-4H3