2-azanyl-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]benzenesulfonic acid Openeye Name: 2-amino-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]benzenesulfonic acid CAS Name: 2-amino-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]benzenesulfonic acid IUPAC Name: 2-amino-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]benzenesulfonic acid Traditional Name: 2-amino-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]besylic acid Formula: C21H15N3O3S3 MolecularWeight: 453.5571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC(=C(C=C5)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC(=C(C=C5)N)S(=O)(=O)O

InChI

InChI=1S/C21H15N3O3S3/c1-11-2-6-15-17(8-11)28-20(23-15)12-4-7-16-18(9-12)29-21(24-16)13-3-5-14(22)19(10-13)30(25,26)27/h2-10H,22H2,1H3,(H,25,26,27)