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

Systemtic Name: (phenylmethyl) 2-[[5-(methylsulfonylaminomethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[5-(methanesulfonamidomethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[5-(methanesulfonamidomethyl)-1H-indol-3-yl]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(methanesulfonamidomethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[5-(methanesulfonamidomethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC2=C(C=C1)NC=C2CC3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NCC1=CC2=C(C=C1)NC=C2CC3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-31(28,29)25-14-18-9-10-22-21(12-18)19(15-24-22)13-20-8-5-11-26(20)23(27)30-16-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,15,20,24-25H,5,8,11,13-14,16H2,1H3