3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide

Systemtic Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide IUPAC Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1CCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C25H35N3O4S/c1-3-18-32-24-12-5-4-9-22(24)11-7-13-26-25(29)23-10-6-8-21(19-23)20-27-14-16-28(17-15-27)33(2,30)31/h4-6,8-10,12,19H,3,7,11,13-18,20H2,1-2H3,(H,26,29)