4-(3-methylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-(4-besylpiperazino)-4-(3-methylphenoxy)butan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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