N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(propargylsulfamoyl)benzamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H22N2O5S/c1-3-10-22-29(25,26)18-7-5-6-17(14-18)21(24)23(4-2)15-16-8-9-19-20(13-16)28-12-11-27-19/h1,5-9,13-14,22H,4,10-12,15H2,2H3