N-tert-butyl-1-cyano-N-methyl-1-[1-(4-methylphenyl)sulfonyl-3-(1-pyrrolidin-2-ylethyl)indol-5-yl]methanesulfonamide

Systemtic Name: N-tert-butyl-1-cyano-N-methyl-1-[1-(4-methylphenyl)sulfonyl-3-(1-pyrrolidin-2-ylethyl)indol-5-yl]methanesulfonamide Openeye Name: N-tert-butyl-1-cyano-N-methyl-1-[1-(p-tolylsulfonyl)-3-(1-pyrrolidin-2-ylethyl)indol-5-yl]methanesulfonamide CAS Name: N-tert-butyl-1-cyano-N-methyl-1-[1-(4-methylphenyl)sulfonyl-3-[1-(2-pyrrolidinyl)ethyl]-5-indolyl]methanesulfonamide IUPAC Name: N-tert-butyl-1-cyano-N-methyl-1-[1-(4-methylphenyl)sulfonyl-3-(1-pyrrolidin-2-ylethyl)indol-5-yl]methanesulfonamide Traditional Name: N-tert-butyl-1-cyano-N-methyl-1-[3-(1-pyrrolidin-2-ylethyl)-1-tosyl-indol-5-yl]methanesulfonamide Formula: C28H36N4O4S2 MolecularWeight: 556.73984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C(C#N)S(=O)(=O)N(C)C(C)(C)C)C(C)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C(C#N)S(=O)(=O)N(C)C(C)(C)C)C(C)C4CCCN4

InChI

InChI=1S/C28H36N4O4S2/c1-19-9-12-22(13-10-19)37(33,34)32-18-24(20(2)25-8-7-15-30-25)23-16-21(11-14-26(23)32)27(17-29)38(35,36)31(6)28(3,4)5/h9-14,16,18,20,25,27,30H,7-8,15H2,1-6H3