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

Systemtic Name: 1-[(3-methylsulfonylphenyl)methyl]-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione Openeye Name: 1-[(3-methylsulfonylphenyl)methyl]-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione CAS Name: 1-[(3-methylsulfonylphenyl)methyl]-5-[[2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]indole-2,3-dione IUPAC Name: 1-[(3-methylsulfonylphenyl)methyl]-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione Traditional Name: 1-(3-mesylbenzyl)-5-[2-(phenoxymethyl)pyrrolidino]sulfonyl-isatin Formula: C27H26N2O7S2 MolecularWeight: 554.63454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4COC5=CC=CC=C5)C(=O)C2=O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4COC5=CC=CC=C5)C(=O)C2=O

InChI

InChI=1S/C27H26N2O7S2/c1-37(32,33)22-11-5-7-19(15-22)17-28-25-13-12-23(16-24(25)26(30)27(28)31)38(34,35)29-14-6-8-20(29)18-36-21-9-3-2-4-10-21/h2-5,7,9-13,15-16,20H,6,8,14,17-18H2,1H3