N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-(4-carbamimidoylphenoxy)-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-(4-carbamimidoylphenoxy)-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-(4-carbamimidoylphenoxy)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-(4-carbamimidoylphenoxy)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-(4-carbamimidoylphenoxy)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-(5-acetamido-2-esyl-benzyl)-2-(4-amidinophenoxy)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C31H38N4O7S MolecularWeight: 610.72102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)CC)OC3=CC=C(C=C3)C(=N)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)CC)OC3=CC=C(C=C3)C(=N)N)OC(C)C

InChI

InChI=1S/C31H38N4O7S/c1-6-40-27-17-22(10-14-26(27)41-19(3)4)29(42-25-12-8-21(9-13-25)30(32)33)31(37)34-18-23-16-24(35-20(5)36)11-15-28(23)43(38,39)7-2/h8-17,19,29H,6-7,18H2,1-5H3,(H3,32,33)(H,34,37)(H,35,36)