(2S)-2-(4-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: (2S)-1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one CAS Name: (2S)-2-(4-methylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one Traditional Name: (2S)-1-(4-benzylsulfonylpiperazino)-2-(4-methylphenoxy)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17-8-10-20(11-9-17)27-18(2)21(24)22-12-14-23(15-13-22)28(25,26)16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1