2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-(4-pyrrolidinobenzyl)propionamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)N2CCCC2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)N2CCCC2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C21H26FN3O3S/c1-16(25(29(2,27)28)20-11-7-18(22)8-12-20)21(26)23-15-17-5-9-19(10-6-17)24-13-3-4-14-24/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)