2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-4-(2-methylpropoxy)-2-(propylsulfonylamino)phenyl]-N-propylsulfonyl-ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-4-(2-methylpropoxy)-2-(propylsulfonylamino)phenyl]-N-propylsulfonyl-ethanamide Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-4-isobutoxy-2-(propylsulfonylamino)phenyl]-N-propylsulfonyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-4-(2-methylpropoxy)-2-(propylsulfonylamino)phenyl]-N-propylsulfonylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-4-(2-methylpropoxy)-2-(propylsulfonylamino)phenyl]-N-propylsulfonylacetamide Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-4-isobutoxy-2-(propylsulfonylamino)phenyl]-N-propylsulfonyl-acetamide Formula: C27H41N5O7S2 MolecularWeight: 611.77374

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC(=C(C=C1C(C(=O)NS(=O)(=O)CCC)NC2=CC=C(C=C2)C(=N)N)OCC)OCC(C)C

Isomeric SMILES

CCCS(=O)(=O)NC1=CC(=C(C=C1C(C(=O)NS(=O)(=O)CCC)NC2=CC=C(C=C2)C(=N)N)OCC)OCC(C)C

InChI

InChI=1S/C27H41N5O7S2/c1-6-13-40(34,35)31-22-16-24(39-17-18(4)5)23(38-8-3)15-21(22)25(27(33)32-41(36,37)14-7-2)30-20-11-9-19(10-12-20)26(28)29/h9-12,15-16,18,25,30-31H,6-8,13-14,17H2,1-5H3,(H3,28,29)(H,32,33)