4-(3-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(3-methylphenoxy)butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(3-methylphenoxy)butan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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