(2R)-2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-hydroxyethyl)-7-prop-1-ynyl-1-benzofuran-5-yl]-N-methylsulfonyl-ethanamide

Systemtic Name: (2R)-2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-hydroxyethyl)-7-prop-1-ynyl-1-benzofuran-5-yl]-N-methylsulfonyl-ethanamide Openeye Name: (2R)-2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethyl)-7-prop-1-ynyl-benzofuran-5-yl]-N-methylsulfonyl-acetamide CAS Name: (2R)-2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethyl)-7-prop-1-ynyl-5-benzofuranyl]-N-methylsulfonylacetamide IUPAC Name: (2R)-2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethyl)-7-prop-1-ynyl-1-benzofuran-5-yl]-N-methylsulfonylacetamide Traditional Name: (2R)-2-(4-amidinoanilino)-2-[2-(2-hydroxyethyl)-7-prop-1-ynyl-benzofuran-5-yl]-N-mesyl-acetamide Formula: C23H24N4O5S MolecularWeight: 468.52546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC2=C1OC(=C2)CCO)C(C(=O)NS(=O)(=O)C)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC#CC1=CC(=CC2=C1OC(=C2)CCO)[C@H](C(=O)NS(=O)(=O)C)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H24N4O5S/c1-3-4-15-11-16(12-17-13-19(9-10-28)32-21(15)17)20(23(29)27-33(2,30)31)26-18-7-5-14(6-8-18)22(24)25/h5-8,11-13,20,26,28H,9-10H2,1-2H3,(H3,24,25)(H,27,29)/t20-/m1/s1