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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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