[3-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-isobutoxyphenyl)methanone CAS Name: [3-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-isobutoxyphenyl)methanone Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-18(2)16-28-21-10-6-9-20(15-21)22(25)23-11-13-24(14-12-23)29(26,27)17-19-7-4-3-5-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3