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

Systemtic Name: N-[2-cyano-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]-4-thiophen-2-yl-benzenesulfonamide Openeye Name: N-[2-cyano-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]-4-(2-thienyl)benzenesulfonamide CAS Name: N-[2-cyano-5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]phenyl]-4-thiophen-2-ylbenzenesulfonamide IUPAC Name: N-[2-cyano-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]-4-thiophen-2-ylbenzenesulfonamide Traditional Name: N-[2-cyano-5-[(3S,5R)-3,5-dimethylpiperazino]phenyl]-4-(2-thienyl)benzenesulfonamide Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)C#N)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)C#N)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C23H24N4O2S2/c1-16-14-27(15-17(2)25-16)20-8-5-19(13-24)22(12-20)26-31(28,29)21-9-6-18(7-10-21)23-4-3-11-30-23/h3-12,16-17,25-26H,14-15H2,1-2H3/t16-,17+