N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-yl-benzenesulfonamide

Systemtic Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-yl-benzenesulfonamide Openeye Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-yl-benzenesulfonamide CAS Name: N-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]-4-(1-pyrazolyl)benzenesulfonamide IUPAC Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-ylbenzenesulfonamide Traditional Name: N-[3-[(3R,5S)-3,5-dimethylpiperazino]phenyl]-4-pyrazol-1-yl-benzenesulfonamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H25N5O2S/c1-16-14-25(15-17(2)23-16)20-6-3-5-18(13-20)24-29(27,28)21-9-7-19(8-10-21)26-12-4-11-22-26/h3-13,16-17,23-24H,14-15H2,1-2H3/t16-,17+