N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-pyrazol-1-yl-benzenesulfonamide

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-pyrazol-1-yl-benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-pyrazol-1-yl-benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-(1-pyrazolyl)benzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-4-pyrazol-1-yl-benzenesulfonamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-16-14-26(15-17(2)24-16)19-7-10-22(30-3)21(13-19)25-31(28,29)20-8-5-18(6-9-20)27-12-4-11-23-27/h4-13,16-17,24-25H,14-15H2,1-3H3/t16-,17+