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

Systemtic Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-4-(4-methylphenyl)benzenesulfonamide Openeye Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-4-(p-tolyl)benzenesulfonamide CAS Name: N-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-4-methoxyphenyl]-4-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[3-[(3R,5S)-3,5-dimethylpiperazino]-4-methoxy-phenyl]-4-(p-tolyl)benzenesulfonamide Formula: C26H31N3O3S MolecularWeight: 465.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H31N3O3S/c1-18-5-7-21(8-6-18)22-9-12-24(13-10-22)33(30,31)28-23-11-14-26(32-4)25(15-23)29-16-19(2)27-20(3)17-29/h5-15,19-20,27-28H,16-17H2,1-4H3/t19-,20+