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

Systemtic Name: ethyl 3-(3-carbamimidoylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-(3-carbamimidoylphenyl)-2-[[2-(p-tolylsulfonylamino)acetyl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[[2-(tosylamino)acetyl]amino]propionic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-3-30-21(27)18(12-15-5-4-6-16(11-15)20(22)23)25-19(26)13-24-31(28,29)17-9-7-14(2)8-10-17/h4-11,18,24H,3,12-13H2,1-2H3,(H3,22,23)(H,25,26)