ethyl 4-[[(3-carbamimidoylphenyl)amino]-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]amino]butanoate

Systemtic Name: ethyl 4-[[(3-carbamimidoylphenyl)amino]-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]amino]butanoate Openeye Name: ethyl 4-[(3-carbamimidoylanilino)-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]amino]butanoate CAS Name: 4-[(3-carbamimidoylanilino)-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-carbamimidoylanilino)-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]amino]butanoate Traditional Name: 4-[(3-amidinoanilino)-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]amino]butyric acid ethyl ester Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H30N6O5S/c1-2-37-24(33)11-6-16-32(31-21-8-5-7-19(17-21)25(27)28)26(34)30-20-14-12-18(13-15-20)22-9-3-4-10-23(22)38(29,35)36/h3-5,7-10,12-15,17,31H,2,6,11,16H2,1H3,(H3,27,28)(H,30,34)(H2,29,35,36)