O5-methyl O1-(phenylmethyl) 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1,5-dicarboxylate

Systemtic Name: O5-methyl O1-(phenylmethyl) 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1,5-dicarboxylate Openeye Name: O1-benzyl O5-methyl 2-[(E)-2-(p-tolylsulfonyl)vinyl]indole-1,5-dicarboxylate CAS Name: 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1,5-dicarboxylic acid O5-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-methyl 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1,5-dicarboxylate Traditional Name: 2-[(E)-2-tosylvinyl]indole-1,5-dicarboxylic acid O1-benzyl ester O5-methyl ester Formula: C27H23NO6S MolecularWeight: 489.53962

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(=O)OC

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(=O)OC

InChI

InChI=1S/C27H23NO6S/c1-19-8-11-24(12-9-19)35(31,32)15-14-23-17-22-16-21(26(29)33-2)10-13-25(22)28(23)27(30)34-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3/b15-14+