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

Systemtic Name: 4-bromanyl-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methoxy-benzenesulfonamide Openeye Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methoxy-benzenesulfonamide CAS Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]-2-methoxybenzenesulfonamide IUPAC Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methoxybenzenesulfonamide Traditional Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazino]phenyl]-2-methoxy-benzenesulfonamide Formula: C19H24BrN3O3S MolecularWeight: 454.38116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O3S/c1-13-11-23(12-14(2)21-13)17-6-4-5-16(10-17)22-27(24,25)19-8-7-15(20)9-18(19)26-3/h4-10,13-14,21-22H,11-12H2,1-3H3/t13-,14+