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

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-thiophen-2-yl-benzenesulfonamide Openeye Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-(2-thienyl)benzenesulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide Traditional Name: N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-4-(2-thienyl)benzenesulfonamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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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=CS4

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=CS4

InChI

InChI=1S/C23H27N3O3S2/c1-16-14-26(15-17(2)24-16)19-8-11-22(29-3)21(13-19)25-31(27,28)20-9-6-18(7-10-20)23-5-4-12-30-23/h4-13,16-17,24-25H,14-15H2,1-3H3/t16-,17+