3-(4-methoxyphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-(4-methoxyphenyl)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-27-20-10-7-18(8-11-20)9-12-21(24)22-13-15-23(16-14-22)28(25,26)17-19-5-3-2-4-6-19/h2-8,10-11H,9,12-17H2,1H3