2-(1H-indol-3-ylmethylsulfanyl)-6-piperidin-1-ylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-(1H-indol-3-ylmethylsulfanyl)-6-piperidin-1-ylsulfonyl-1,3-benzothiazole Openeye Name: 2-(1H-indol-3-ylmethylsulfanyl)-6-(1-piperidylsulfonyl)-1,3-benzothiazole CAS Name: 2-(1H-indol-3-ylmethylthio)-6-(1-piperidinylsulfonyl)-1,3-benzothiazole IUPAC Name: 2-(1H-indol-3-ylmethylsulfanyl)-6-piperidin-1-ylsulfonyl-1,3-benzothiazole Traditional Name: 2-(1H-indol-3-ylmethylthio)-6-piperidinosulfonyl-1,3-benzothiazole Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H21N3O2S3/c25-29(26,24-10-4-1-5-11-24)16-8-9-19-20(12-16)28-21(23-19)27-14-15-13-22-18-7-3-2-6-17(15)18/h2-3,6-9,12-13,22H,1,4-5,10-11,14H2