N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methyl-acetamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N(C)C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)N(C)C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O5S2/c1-22(13-19(24)23(2)20-21-15-6-3-4-7-18(15)29-20)30(25,26)14-8-9-16-17(12-14)28-11-5-10-27-16/h3-4,6-9,12H,5,10-11,13H2,1-2H3