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

Systemtic Name: 4-bromanyl-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-4-methoxyphenyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazino]-4-methoxy-phenyl]-3-methyl-benzenesulfonamide Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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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)C)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)C)OC

InChI

InChI=1S/C20H26BrN3O3S/c1-13-9-17(6-7-18(13)21)28(25,26)23-16-5-8-20(27-4)19(10-16)24-11-14(2)22-15(3)12-24/h5-10,14-15,22-23H,11-12H2,1-4H3/t14-,15+