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

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-phenyl-benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-phenyl-benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-phenylbenzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-phenylbenzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-4-phenyl-benzenesulfonamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H29N3O3S/c1-18-16-28(17-19(2)26-18)22-11-14-25(31-3)24(15-22)27-32(29,30)23-12-9-21(10-13-23)20-7-5-4-6-8-20/h4-15,18-19,26-27H,16-17H2,1-3H3/t18-,19+