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

Systemtic Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-methyl-benzamide Openeye Name: 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N-methyl-benzamide CAS Name: 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-methylbenzamide Traditional Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-N-methyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-21-19(24)14-8-10-16(11-9-14)28(25,26)23-12-4-5-15(13-23)20-22-17-6-2-3-7-18(17)27-20/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,21,24)/t15-/m0/s1