2-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-(1-indan-5-ylsulfonyl-4-piperidyl)-1,3-benzothiazole CAS Name: 2-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-(1-indan-5-ylsulfonyl-4-piperidyl)-1,3-benzothiazole Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N2O2S2/c24-27(25,18-9-8-15-4-3-5-17(15)14-18)23-12-10-16(11-13-23)21-22-19-6-1-2-7-20(19)26-21/h1-2,6-9,14,16H,3-5,10-13H2