N-(4-butylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(4-butylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(4-butylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(4-butylphenyl)-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(4-butylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(4-butylphenyl)-4-[(4-mesylpiperazino)methyl]benzamide Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-3-4-5-19-8-12-22(13-9-19)24-23(27)21-10-6-20(7-11-21)18-25-14-16-26(17-15-25)30(2,28)29/h6-13H,3-5,14-18H2,1-2H3,(H,24,27)