2-[[(1S)-2-methyl-1-phenyl-propyl]amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[[(1S)-2-methyl-1-phenyl-propyl]amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[[(1S)-2-methyl-1-phenyl-propyl]amino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[[(1S)-2-methyl-1-phenyl-propyl]amino]-1-(4-tosylpiperazino)ethanone Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-18(2)23(20-7-5-4-6-8-20)24-17-22(27)25-13-15-26(16-14-25)30(28,29)21-11-9-19(3)10-12-21/h4-12,18,23-24H,13-17H2,1-3H3/t23-/m0/s1