1-phenyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-phenyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-phenyl-butane-1,4-dione CAS Name: 1-phenyl-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-phenylbutane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-phenyl-butane-1,4-dione Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c24-20(19-9-5-2-6-10-19)11-12-21(25)22-13-15-23(16-14-22)28(26,27)17-18-7-3-1-4-8-18/h1-10H,11-17H2