2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-1,3-benzothiazole Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)OC1

InChI

InChI=1S/C21H22N2O4S2/c24-29(25,16-6-7-18-19(14-16)27-13-3-12-26-18)23-10-8-15(9-11-23)21-22-17-4-1-2-5-20(17)28-21/h1-2,4-7,14-15H,3,8-13H2