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

Systemtic Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methoxy-4-thiophen-2-yl-benzenesulfonamide Openeye Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methoxy-4-(2-thienyl)benzenesulfonamide CAS Name: N-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]-2-methoxy-4-thiophen-2-ylbenzenesulfonamide IUPAC Name: N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methoxy-4-thiophen-2-ylbenzenesulfonamide Traditional Name: N-[3-[(3R,5S)-3,5-dimethylpiperazino]phenyl]-2-methoxy-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(=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3)C4=CC=CS4)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3)C4=CC=CS4)OC

InChI

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