ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-(phenylsulfonyl)butanoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-(phenylsulfonyl)butanoate Openeye Name: ethyl 4-(benzenesulfonyl)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]butanoate CAS Name: 4-(benzenesulfonyl)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]butanoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-besyl-butyric acid ethyl ester Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CS(=O)(=O)C1=CC=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(CS(=O)(=O)C1=CC=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H28N4O6S/c1-2-33-22(30)14-18(15-34(31,32)19-6-4-3-5-7-19)27-21(29)13-12-20(28)26-17-10-8-16(9-11-17)23(24)25/h3-11,18H,2,12-15H2,1H3,(H3,24,25)(H,26,28)(H,27,29)