2-(2-ethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-ethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-ethylphenoxy)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-ethylphenoxy)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-ethylphenoxy)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(2-ethylphenoxy)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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