2-[2-[[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)azo]anilino]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)azo]anilino]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[(6-mesyl-1,3-benzothiazol-2-yl)azo]-3-methyl-anilino]ethyl]isoindoline-1,3-quinone Formula: C25H21N5O4S2 MolecularWeight: 519.59534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCN2C(=O)C3=CC=CC=C3C2=O)N=NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NCCN2C(=O)C3=CC=CC=C3C2=O)N=NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C25H21N5O4S2/c1-15-13-16(26-11-12-30-23(31)18-5-3-4-6-19(18)24(30)32)7-9-20(15)28-29-25-27-21-10-8-17(36(2,33)34)14-22(21)35-25/h3-10,13-14,26H,11-12H2,1-2H3