4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-(pyrrolidinomethyl)benzyl]butyramide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC1=CC=CC=C1CN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)NCC1=CC=CC=C1CN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FN3O3S/c1-26(31(29,30)22-12-10-21(24)11-13-22)14-6-9-23(28)25-17-19-7-2-3-8-20(19)18-27-15-4-5-16-27/h2-3,7-8,10-13H,4-6,9,14-18H2,1H3,(H,25,28)