4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-N,N-diethyl-benzenesulfonamide Formula: C22H27N3O4S3 MolecularWeight: 493.66248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N3O4S3/c1-3-24(4-2)31(26,27)17-12-14-18(15-13-17)32(28,29)25-16-8-7-10-20(25)22-23-19-9-5-6-11-21(19)30-22/h5-6,9,11-15,20H,3-4,7-8,10,16H2,1-2H3/t20-/m0/s1