3-[(4-carbamimidoylphenyl)amino]-2-(3,4-diethoxyphenoxy)-4-(propylsulfonylamino)butanoic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)amino]-2-(3,4-diethoxyphenoxy)-4-(propylsulfonylamino)butanoic acid Openeye Name: 3-(4-carbamimidoylanilino)-2-(3,4-diethoxyphenoxy)-4-(propylsulfonylamino)butanoic acid CAS Name: 3-(4-carbamimidoylanilino)-2-(3,4-diethoxyphenoxy)-4-(propylsulfonylamino)butanoic acid IUPAC Name: 3-(4-carbamimidoylanilino)-2-(3,4-diethoxyphenoxy)-4-(propylsulfonylamino)butanoic acid Traditional Name: 3-(4-amidinoanilino)-2-(3,4-diethoxyphenoxy)-4-(propylsulfonylamino)butyric acid Formula: C24H34N4O7S MolecularWeight: 522.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC(C(C(=O)O)OC1=CC(=C(C=C1)OCC)OCC)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCS(=O)(=O)NCC(C(C(=O)O)OC1=CC(=C(C=C1)OCC)OCC)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C24H34N4O7S/c1-4-13-36(31,32)27-15-19(28-17-9-7-16(8-10-17)23(25)26)22(24(29)30)35-18-11-12-20(33-5-2)21(14-18)34-6-3/h7-12,14,19,22,27-28H,4-6,13,15H2,1-3H3,(H3,25,26)(H,29,30)