(3-ethoxy-4-propoxy-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-ethoxy-4-propoxy-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-ethoxy-4-propoxy-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-ethoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone Traditional Name: (4-besylpiperazino)-(3-ethoxy-4-propoxy-phenyl)methanone Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H28N2O5S/c1-3-16-29-20-11-10-18(17-21(20)28-4-2)22(25)23-12-14-24(15-13-23)30(26,27)19-8-6-5-7-9-19/h5-11,17H,3-4,12-16H2,1-2H3