ethyl 3-(4-carbamimidoylphenyl)-2-[2-[(4-cyanophenyl)sulfonylamino]ethanoylamino]propanoate

Systemtic Name: ethyl 3-(4-carbamimidoylphenyl)-2-[2-[(4-cyanophenyl)sulfonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-(4-carbamimidoylphenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]acetyl]amino]propanoate CAS Name: 3-(4-carbamimidoylphenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamimidoylphenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]acetyl]amino]propanoate Traditional Name: 3-(4-amidinophenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]acetyl]amino]propionic acid ethyl ester Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)