N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]isonipecotamide Formula: C25H35N3O3S2 MolecularWeight: 489.6937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)N4CCCC4)C

InChI

InChI=1S/C25H35N3O3S2/c1-18-15-19(2)24(20(3)16-18)33(30,31)28-12-8-21(9-13-28)25(29)26-17-22(23-7-6-14-32-23)27-10-4-5-11-27/h6-7,14-16,21-22H,4-5,8-13,17H2,1-3H3,(H,26,29)