6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]-N,N-diethyl-pyridine-3-sulfonamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S2/c1-3-24(4-2)29(26,27)16-12-13-20(22-15-16)25-14-8-7-10-18(25)21-23-17-9-5-6-11-19(17)28-21/h5-6,9,11-13,15,18H,3-4,7-8,10,14H2,1-2H3/t18-/m0/s1