(3R)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: (3R)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: (3R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one CAS Name: (3R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3,5-dimethyl-1-pyrazolyl)-1-butanone IUPAC Name: (3R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one Traditional Name: (3R)-1-(4-besylpiperazino)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1[C@H](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O3S/c1-15-13-16(2)23(20-15)17(3)14-19(24)21-9-11-22(12-10-21)27(25,26)18-7-5-4-6-8-18/h4-8,13,17H,9-12,14H2,1-3H3/t17-/m1/s1