2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H21N3O4S2/c24-29(25,15-6-7-17-18(14-15)27-13-12-26-17)23-9-3-8-22(10-11-23)20-21-16-4-1-2-5-19(16)28-20/h1-2,4-7,14H,3,8-13H2