[4-(2-ethoxyphenyl)piperazin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[4-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [4-(mesylmethyl)phenyl]-(4-o-phenetylpiperazino)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-3-27-20-7-5-4-6-19(20)22-12-14-23(15-13-22)21(24)18-10-8-17(9-11-18)16-28(2,25)26/h4-11H,3,12-16H2,1-2H3