(3S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one

Systemtic Name: (3S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one Openeye Name: (3S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one CAS Name: (3S)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-phenyl-1-butanone IUPAC Name: (3S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenylbutan-1-one Traditional Name: (3S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-phenyl-butan-1-one Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-17-9-10-21(19(3)15-17)28(26,27)24-13-11-23(12-14-24)22(25)16-18(2)20-7-5-4-6-8-20/h4-10,15,18H,11-14,16H2,1-3H3/t18-/m0/s1