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

Systemtic Name: N-[2-chloranyl-5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-pyridin-2-yl-thiophene-2-sulfonamide Openeye Name: N-[2-chloro-5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide CAS Name: N-[2-chloro-5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[2-chloro-5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide Traditional Name: N-[2-chloro-5-[(3R,5S)-3,5-dimethylpiperazino]phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide Formula: C21H23ClN4O2S2 MolecularWeight: 463.01592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2S2/c1-14-12-26(13-15(2)24-14)16-6-7-17(22)19(11-16)25-30(27,28)21-9-8-20(29-21)18-5-3-4-10-23-18/h3-11,14-15,24-25H,12-13H2,1-2H3/t14-,15+