[3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[3-(ethoxymethyl)-4-methoxyphenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(ethoxymethyl)-4-methoxyphenyl]methanone Traditional Name: (4-besylpiperazino)-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-3-28-16-18-15-17(9-10-20(18)27-2)21(24)22-11-13-23(14-12-22)29(25,26)19-7-5-4-6-8-19/h4-10,15H,3,11-14,16H2,1-2H3