1-phenethyl-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione

Systemtic Name: 1-phenethyl-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione Openeye Name: 1-phenethyl-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione CAS Name: 1-phenethyl-5-[[2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]indole-2,3-dione IUPAC Name: 1-phenethyl-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione Traditional Name: 1-phenethyl-5-[2-(phenoxymethyl)pyrrolidino]sulfonyl-isatin Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC4=CC=CC=C4)COC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC4=CC=CC=C4)COC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O5S/c30-26-24-18-23(13-14-25(24)28(27(26)31)17-15-20-8-3-1-4-9-20)35(32,33)29-16-7-10-21(29)19-34-22-11-5-2-6-12-22/h1-6,8-9,11-14,18,21H,7,10,15-17,19H2