(3S)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: (3S)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: (3S)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: (3S)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: (3S)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: (3S)-1-(4-mesitylsulfonylpiperazino)-3-phenyl-butan-1-one Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-17-14-19(3)23(20(4)15-17)29(27,28)25-12-10-24(11-13-25)22(26)16-18(2)21-8-6-5-7-9-21/h5-9,14-15,18H,10-13,16H2,1-4H3/t18-/m0/s1