N-[3-(1,3-benzothiazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N2O4S2/c21-26(22,13-7-8-15-16(12-13)24-11-10-23-15)19-9-3-6-18-20-14-4-1-2-5-17(14)25-18/h1-2,4-5,7-8,12,19H,3,6,9-11H2