N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxy-5-methylsulfonyl-benzamide

Systemtic Name: N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxy-5-methylsulfonyl-benzamide Openeye Name: N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxy-5-methylsulfonyl-benzamide CAS Name: N-[[1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-2-methoxy-5-methylsulfonylbenzamide IUPAC Name: N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxy-5-methylsulfonylbenzamide Traditional Name: N-[[1-(4-fluorobenzyl)pyrrolidin-2-yl]methyl]-5-mesyl-2-methoxy-benzamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2CCCN2CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2CCCN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-28-20-10-9-18(29(2,26)27)12-19(20)21(25)23-13-17-4-3-11-24(17)14-15-5-7-16(22)8-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,23,25)