2-(2-methylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3C

InChI

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