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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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