ethyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: ethyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: ethyl 2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(benzenesulfonamido)propionic acid ethyl ester Formula: C24H30N6O6S MolecularWeight: 530.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N6O6S/c1-2-36-24(33)20(28-37(34,35)19-6-4-3-5-7-19)14-27-21(31)15-30-13-12-29(16-22(30)32)18-10-8-17(9-11-18)23(25)26/h3-11,20,28H,2,12-16H2,1H3,(H3,25,26)(H,27,31)