4-(4-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-methylphenoxy)butan-1-one CAS Name: 4-(4-methylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-methylphenoxy)butan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(4-methylphenoxy)butan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-19-9-11-21(12-10-19)28-17-5-8-22(25)23-13-15-24(16-14-23)29(26,27)18-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3