3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O5S2/c1-13-4-2-5-17-19(13)23-20(29-17)22-18(24)8-9-21-30(25,26)14-6-7-15-16(12-14)28-11-3-10-27-15/h2,4-7,12,21H,3,8-11H2,1H3,(H,22,23,24)