[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[3-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [3-(mesylmethyl)phenyl]-(4-o-phenetylpiperazino)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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