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

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-propoxy-benzamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-propoxy-benzamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-4-propoxybenzamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-propoxybenzamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-4-propoxy-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-3-16-28-20-10-4-17(5-11-20)21(25)22-18-6-8-19(9-7-18)23-12-14-24(15-13-23)29(2,26)27/h4-11H,3,12-16H2,1-2H3,(H,22,25)