[(3R)-3-methyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazin-1-yl]-phenyl-methanone

Systemtic Name: [(3R)-3-methyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [(3R)-3-methyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazin-1-yl]-phenyl-methanone CAS Name: [(3R)-3-methyl-4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]-phenylmethanone IUPAC Name: [(3R)-3-methyl-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone Traditional Name: [(3R)-3-methyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazino]-phenyl-methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-17-16-23(21(26)18-6-3-2-4-7-18)14-15-25(17)29(27,28)20-10-8-19(9-11-20)24-13-5-12-22-24/h2-13,17H,14-16H2,1H3/t17-/m1/s1