2-[(4-carbamimidoylphenyl)amino]-2-[5-methoxy-4-phenylmethoxy-2-(phenylsulfonylamino)phenyl]-N-(phenylmethyl)ethanamide ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-methoxy-4-phenylmethoxy-2-(phenylsulfonylamino)phenyl]-N-(phenylmethyl)ethanamide ethanoate Openeye Name: 2-[2-(benzenesulfonamido)-4-benzyloxy-5-methoxy-phenyl]-N-benzyl-2-(4-carbamimidoylanilino)acetamide acetate CAS Name: 2-[2-(benzenesulfonamido)-5-methoxy-4-phenylmethoxyphenyl]-2-(4-carbamimidoylanilino)-N-(phenylmethyl)acetamide acetate IUPAC Name: 2-[2-(benzenesulfonamido)-5-methoxy-4-phenylmethoxyphenyl]-N-benzyl-2-(4-carbamimidoylanilino)acetamide acetate Traditional Name: 2-(4-amidinoanilino)-2-[2-(benzenesulfonamido)-4-benzoxy-5-methoxy-phenyl]-N-benzyl-acetamide acetate Formula: C38H38N5O7S- MolecularWeight: 708.80262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)[O-].COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C36H35N5O5S.C2H4O2/c1-45-32-21-30(34(36(42)39-23-25-11-5-2-6-12-25)40-28-19-17-27(18-20-28)35(37)38)31(41-47(43,44)29-15-9-4-10-16-29)22-33(32)46-24-26-13-7-3-8-14-26;1-2(3)4/h2-22,34,40-41H,23-24H2,1H3,(H3,37,38)(H,39,42);1H3,(H,3,4)/p-1