2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylthiophene-3-sulfonamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylthiophene-3-sulfonamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]thiophene-3-sulfonamide CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-thiophenesulfonamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]thiophene-3-sulfonamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]thiophene-3-sulfonamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=C(C=CS4)S(=O)(=O)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=C(C=CS4)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O4S2/c19-27(23,24)16-4-10-26-17(16)18(22)21-7-5-20(6-8-21)12-13-1-2-15-14(11-13)3-9-25-15/h1-2,4,10-11H,3,5-9,12H2,(H2,19,23,24)