(phenylmethyl) 2-[[5-(1-ethylsulfonylethenyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[5-(1-ethylsulfonylethenyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[5-(1-ethylsulfonylvinyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[5-(1-ethylsulfonylethenyl)-1H-indol-3-yl]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(1-ethylsulfonylethenyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[5-(1-esylvinyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C(=C)C1=CC2=C(C=C1)NC=C2CC3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C(=C)C1=CC2=C(C=C1)NC=C2CC3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-3-32(29,30)18(2)20-11-12-24-23(15-20)21(16-26-24)14-22-10-7-13-27(22)25(28)31-17-19-8-5-4-6-9-19/h4-6,8-9,11-12,15-16,22,26H,2-3,7,10,13-14,17H2,1H3