2-[(4-fluorophenyl)methyl-methyl-amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(4-fluorophenyl)methyl-methyl-amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(4-fluorophenyl)methyl-methyl-amino]-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(4-fluorophenyl)methyl-methylamino]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(4-fluorobenzyl)-methyl-amino]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)N(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)N(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-17(25(2)16-18-9-11-19(23)12-10-18)22(27)24-20-7-6-8-21(15-20)30(28,29)26-13-4-3-5-14-26/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,24,27)