(4-acetamidophenyl)sulfonyl-[(4-carbamimidoylphenyl)amino]-ethyl-(3-methoxy-4-phenylmethoxy-phenyl)azanium

Systemtic Name: (4-acetamidophenyl)sulfonyl-[(4-carbamimidoylphenyl)amino]-ethyl-(3-methoxy-4-phenylmethoxy-phenyl)azanium Openeye Name: (4-acetamidophenyl)sulfonyl-(4-benzyloxy-3-methoxy-phenyl)-(4-carbamimidoylanilino)-ethyl-ammonium CAS Name: (4-acetamidophenyl)sulfonyl-(4-carbamimidoylanilino)-ethyl-(3-methoxy-4-phenylmethoxyphenyl)ammonium IUPAC Name: (4-acetamidophenyl)sulfonyl-(4-carbamimidoylanilino)-ethyl-(3-methoxy-4-phenylmethoxyphenyl)azanium Traditional Name: (4-acetamidophenyl)sulfonyl-(4-amidinoanilino)-(4-benzoxy-3-methoxy-phenyl)-ethyl-ammonium Formula: C31H34N5O5S+ MolecularWeight: 588.69716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC[N+](C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C31H33N5O5S/c1-4-36(35-26-12-10-24(11-13-26)31(32)33,42(38,39)28-17-14-25(15-18-28)34-22(2)37)27-16-19-29(30(20-27)40-3)41-21-23-8-6-5-7-9-23/h5-20H,4,21H2,1-3H3,(H4-,32,33,34,35,37)/p+1