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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-27-18-7-5-6-17(14-18)20(23-12-3-4-13-23)15-22-21(24)16-8-10-19(11-9-16)28(2,25)26/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24)