(2R)-2-[(4-carbamimidoylphenyl)amino]-2-(7-ethyl-3-methyl-1-benzofuran-5-yl)-N-sulfamoyl-ethanamide

Systemtic Name: (2R)-2-[(4-carbamimidoylphenyl)amino]-2-(7-ethyl-3-methyl-1-benzofuran-5-yl)-N-sulfamoyl-ethanamide Openeye Name: (2R)-2-(4-carbamimidoylanilino)-2-(7-ethyl-3-methyl-benzofuran-5-yl)-N-sulfamoyl-acetamide CAS Name: (2R)-2-(4-carbamimidoylanilino)-2-(7-ethyl-3-methyl-5-benzofuranyl)-N-sulfamoylacetamide IUPAC Name: (2R)-2-(4-carbamimidoylanilino)-2-(7-ethyl-3-methyl-1-benzofuran-5-yl)-N-sulfamoylacetamide Traditional Name: (2R)-2-(4-amidinoanilino)-2-(7-ethyl-3-methyl-benzofuran-5-yl)-N-sulfamoyl-acetamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)C(C(=O)NS(=O)(=O)N)NC3=CC=C(C=C3)C(=N)N)C(=CO2)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)[C@H](C(=O)NS(=O)(=O)N)NC3=CC=C(C=C3)C(=N)N)C(=CO2)C

InChI

InChI=1S/C20H23N5O4S/c1-3-12-8-14(9-16-11(2)10-29-18(12)16)17(20(26)25-30(23,27)28)24-15-6-4-13(5-7-15)19(21)22/h4-10,17,24H,3H2,1-2H3,(H3,21,22)(H,25,26)(H2,23,27,28)/t17-/m1/s1