methyl 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-(p-tolylsulfonyloxy)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate CAS Name: 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate Traditional Name: 3-(2-tosyloxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(NC3=C2C=C(C=C3)CN4C=NC=N4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(NC3=C2C=C(C=C3)CN4C=NC=N4)C(=O)OC

InChI

InChI=1S/C22H22N4O5S/c1-15-3-6-17(7-4-15)32(28,29)31-10-9-18-19-11-16(12-26-14-23-13-24-26)5-8-20(19)25-21(18)22(27)30-2/h3-8,11,13-14,25H,9-10,12H2,1-2H3