2-(1,3-benzothiazol-2-ylsulfanyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate Formula: C23H21N2O3S3- MolecularWeight: 469.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)[O-])SC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)[O-])SC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C23H22N2O3S3/c1-13-11-14(2)16(4)22(15(13)3)31(27,28)25-17-9-10-19(26)21(12-17)30-23-24-18-7-5-6-8-20(18)29-23/h5-12,25-26H,1-4H3/p-1