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

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-propoxy-benzamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-propoxy-benzamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-propoxybenzamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-propoxybenzamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-3-propoxy-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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