N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-3-(propargylsulfamoyl)benzamide Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H22N2O5S/c1-4-9-22-29(25,26)17-8-6-7-15(11-17)21(24)23-18-13-19-16(10-14(3)28-19)12-20(18)27-5-2/h1,6-8,11-14,22H,5,9-10H2,2-3H3,(H,23,24)/t14-/m0/s1