methyl 2-[6-bromanyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H20BrN3O5S2 MolecularWeight: 574.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC(=O)OC

InChI

InChI=1S/C24H20BrN3O5S2/c1-15-7-10-17(11-8-15)35(31,32)27-19-6-4-3-5-18(19)23(30)26-24-28(14-22(29)33-2)20-12-9-16(25)13-21(20)34-24/h3-13,27H,14H2,1-2H3