(3S)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: (3S)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: (3S)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: (3S)-3-(3,5-dimethyl-1-pyrazolyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: (3S)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: (3S)-3-(3,5-dimethylpyrazol-1-yl)-1-(4-tosylpiperazino)butan-1-one Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H](C)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H28N4O3S/c1-15-5-7-19(8-6-15)28(26,27)23-11-9-22(10-12-23)20(25)14-18(4)24-17(3)13-16(2)21-24/h5-8,13,18H,9-12,14H2,1-4H3/t18-/m0/s1