benzotriazol-1-yl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate

Systemtic Name: benzotriazol-1-yl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate Openeye Name: benzotriazol-1-yl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate CAS Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-indolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate Traditional Name: 1-(4-mesylbenzyl)-3-methyl-indole-6-carboxylic acid benzotriazol-1-yl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(=O)ON3C4=CC=CC=C4N=N3)CC5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(=O)ON3C4=CC=CC=C4N=N3)CC5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C24H20N4O4S/c1-16-14-27(15-17-7-10-19(11-8-17)33(2,30)31)23-13-18(9-12-20(16)23)24(29)32-28-22-6-4-3-5-21(22)25-26-28/h3-14H,15H2,1-2H3