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

Systemtic Name: (phenylmethyl) 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1-carboxylate Openeye Name: benzyl 2-[(E)-2-(p-tolylsulfonyl)vinyl]indole-1-carboxylate CAS Name: 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(E)-2-(4-methylphenyl)sulfonylethenyl]indole-1-carboxylate Traditional Name: 2-[(E)-2-tosylvinyl]indole-1-carboxylic acid benzyl ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CC2=CC3=CC=CC=C3N2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/C2=CC3=CC=CC=C3N2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4S/c1-19-11-13-23(14-12-19)31(28,29)16-15-22-17-21-9-5-6-10-24(21)26(22)25(27)30-18-20-7-3-2-4-8-20/h2-17H,18H2,1H3/b16-15+