(3,4-diethoxyphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H26N2O5S/c1-3-27-19-11-10-17(16-20(19)28-4-2)21(24)22-12-14-23(15-13-22)29(25,26)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15H2,1-2H3