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

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-phenylmethoxy-benzenesulfonamide Openeye Name: 4-benzyloxy-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]benzenesulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-phenylmethoxybenzenesulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-phenylmethoxybenzenesulfonamide Traditional Name: 4-benzoxy-N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-methoxy-phenyl]benzenesulfonamide Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

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)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c1-19-16-29(17-20(2)27-19)22-9-14-26(32-3)25(15-22)28-34(30,31)24-12-10-23(11-13-24)33-18-21-7-5-4-6-8-21/h4-15,19-20,27-28H,16-18H2,1-3H3/t19-,20+