benzotriazol-1-yl 3-methyl-1-(4-methylphenyl)sulfonyl-indole-6-carboxylate

Systemtic Name: benzotriazol-1-yl 3-methyl-1-(4-methylphenyl)sulfonyl-indole-6-carboxylate Openeye Name: benzotriazol-1-yl 3-methyl-1-(p-tolylsulfonyl)indole-6-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-6-indolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxylate Traditional Name: 3-methyl-1-tosyl-indole-6-carboxylic acid benzotriazol-1-yl ester Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C23H18N4O4S/c1-15-7-10-18(11-8-15)32(29,30)26-14-16(2)19-12-9-17(13-22(19)26)23(28)31-27-21-6-4-3-5-20(21)24-25-27/h3-14H,1-2H3