3-butoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3-butoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-butoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide CAS Name: 3-butoxy-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 3-butoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3-butoxy-N-[2-(4-mesylpiperazino)phenyl]benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-3-4-16-29-19-9-7-8-18(17-19)22(26)23-20-10-5-6-11-21(20)24-12-14-25(15-13-24)30(2,27)28/h5-11,17H,3-4,12-16H2,1-2H3,(H,23,26)