(phenylmethyl) 5-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1-carboxylate Openeye Name: benzyl 5-methyl-2-[(E)-2-(p-tolylsulfonyl)vinyl]indole-1-carboxylate CAS Name: 5-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1-carboxylate Traditional Name: 5-methyl-2-[(E)-2-tosylvinyl]indole-1-carboxylic acid benzyl ester Formula: C26H23NO4S MolecularWeight: 445.53012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CC2=CC3=C(N2C(=O)OCC4=CC=CC=C4)C=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/C2=CC3=C(N2C(=O)OCC4=CC=CC=C4)C=CC(=C3)C

InChI

InChI=1S/C26H23NO4S/c1-19-8-11-24(12-9-19)32(29,30)15-14-23-17-22-16-20(2)10-13-25(22)27(23)26(28)31-18-21-6-4-3-5-7-21/h3-17H,18H2,1-2H3/b15-14+