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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-18-9-11-19(12-10-18)27-17-5-8-21(24)22-13-15-23(16-14-22)28(25,26)20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-17H2,1H3