N-[4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)-3-(methylaminomethyl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)-3-(methylaminomethyl)phenyl]methanesulfonamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)-3-(methylaminomethyl)phenyl]methanesulfonamide CAS Name: N-[4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)-3-(methylaminomethyl)phenyl]methanesulfonamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)-3-(methylaminomethyl)phenyl]methanesulfonamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)-3-(methylaminomethyl)phenyl]methanesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)NS(=O)(=O)C)OC2=CC3=C(C=C2)OCCS3

Isomeric SMILES

CNCC1=C(C=CC(=C1)NS(=O)(=O)C)OC2=CC3=C(C=C2)OCCS3

InChI

InChI=1S/C17H20N2O4S2/c1-18-11-12-9-13(19-25(2,20)21)3-5-15(12)23-14-4-6-16-17(10-14)24-8-7-22-16/h3-6,9-10,18-19H,7-8,11H2,1-2H3