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

Systemtic Name: methyl 2-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H20N4O7S2 MolecularWeight: 540.5682

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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)[N+](=O)[O-])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)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C24H20N4O7S2/c1-15-7-10-17(11-8-15)37(33,34)26-19-6-4-3-5-18(19)23(30)25-24-27(14-22(29)35-2)20-12-9-16(28(31)32)13-21(20)36-24/h3-13,26H,14H2,1-2H3