4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-chloro-2-methyl-phenoxy)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(4-chloro-2-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-chloro-2-methylphenoxy)butan-1-one Traditional Name: 1-(4-besylpiperazino)-4-(4-chloro-2-methyl-phenoxy)butan-1-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-17-16-18(22)9-10-20(17)28-15-5-8-21(25)23-11-13-24(14-12-23)29(26,27)19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3