N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C17H16N2O4S2/c20-25(21,12-6-7-14-15(10-12)23-9-3-8-22-14)18-11-17-19-13-4-1-2-5-16(13)24-17/h1-2,4-7,10,18H,3,8-9,11H2