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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H18N2O4S2/c1-20(12-18-19-14-5-2-3-6-17(14)25-18)26(21,22)13-7-8-15-16(11-13)24-10-4-9-23-15/h2-3,5-8,11H,4,9-10,12H2,1H3