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

Systemtic Name: 4-bromanyl-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methyl-phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methyl-phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-methylphenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylphenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-methyl-phenyl]benzenesulfonamide Formula: C19H24BrN3O2S MolecularWeight: 438.38176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O2S/c1-13-4-7-17(23-11-14(2)21-15(3)12-23)10-19(13)22-26(24,25)18-8-5-16(20)6-9-18/h4-10,14-15,21-22H,11-12H2,1-3H3/t14-,15+