N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: 4-(mesylmethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)N3CCCC3

InChI

InChI=1S/C22H28N2O4S/c1-28-20-7-5-6-19(14-20)21(24-12-3-4-13-24)15-23-22(25)18-10-8-17(9-11-18)16-29(2,26)27/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,25)