2-[(4-carbamimidoylphenyl)amino]-2-(3-methyl-7-propan-2-yl-1-benzofuran-5-yl)-N-methylsulfonyl-ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methyl-7-propan-2-yl-1-benzofuran-5-yl)-N-methylsulfonyl-ethanamide Openeye Name: 2-(4-carbamimidoylanilino)-2-(7-isopropyl-3-methyl-benzofuran-5-yl)-N-methylsulfonyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methyl-7-propan-2-yl-5-benzofuranyl)-N-methylsulfonylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methyl-7-propan-2-yl-1-benzofuran-5-yl)-N-methylsulfonylacetamide Traditional Name: 2-(4-amidinoanilino)-2-(7-isopropyl-3-methyl-benzofuran-5-yl)-N-mesyl-acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=C(C=C12)C(C(=O)NS(=O)(=O)C)NC3=CC=C(C=C3)C(=N)N)C(C)C

Isomeric SMILES

CC1=COC2=C(C=C(C=C12)C(C(=O)NS(=O)(=O)C)NC3=CC=C(C=C3)C(=N)N)C(C)C

InChI

InChI=1S/C22H26N4O4S/c1-12(2)17-9-15(10-18-13(3)11-30-20(17)18)19(22(27)26-31(4,28)29)25-16-7-5-14(6-8-16)21(23)24/h5-12,19,25H,1-4H3,(H3,23,24)(H,26,27)