ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methylsulfonylamino)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methylsulfonylamino)-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methanesulfonamido)-5-oxo-pentanoate CAS Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methanesulfonamido)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-4-(methanesulfonamido)-5-oxopentanoate Traditional Name: 5-[4-(4-amidinophenyl)butylamino]-5-keto-4-(methanesulfonamido)valeric acid ethyl ester Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NCCCCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)NCCCCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C19H30N4O5S/c1-3-28-17(24)12-11-16(23-29(2,26)27)19(25)22-13-5-4-6-14-7-9-15(10-8-14)18(20)21/h7-10,16,23H,3-6,11-13H2,1-2H3,(H3,20,21)(H,22,25)