N-[4-cyano-3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-pyridin-2-yl-thiophene-2-sulfonamide

Systemtic Name: N-[4-cyano-3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-pyridin-2-yl-thiophene-2-sulfonamide Openeye Name: N-[4-cyano-3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide CAS Name: N-[4-cyano-3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[4-cyano-3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide Traditional Name: N-[4-cyano-3-[(3R,5S)-3,5-dimethylpiperazino]phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C#N

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C#N

InChI

InChI=1S/C22H23N5O2S2/c1-15-13-27(14-16(2)25-15)20-11-18(7-6-17(20)12-23)26-31(28,29)22-9-8-21(30-22)19-5-3-4-10-24-19/h3-11,15-16,25-26H,13-14H2,1-2H3/t15-,16+