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

Systemtic Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Openeye Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide IUPAC Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Traditional Name: 3-[(4-esylpiperazino)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O4S/c1-3-19-33-25-13-6-5-10-23(25)12-8-14-27-26(30)24-11-7-9-22(20-24)21-28-15-17-29(18-16-28)34(31,32)4-2/h5-7,9-11,13,20H,3-4,8,12,14-19,21H2,1-2H3,(H,27,30)