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

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-(4-pyrrolidinobenzyl)butyramide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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