ethyl 2-[[N'-methyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[N'-methyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[N'-methyl-N-(p-tolylsulfonyl)carbamimidoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[methylimino-[(4-methylphenyl)sulfonylamino]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[N'-methyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]amino]-3-phenylpropanoate Traditional Name: 2-[(N'-methyl-N-tosyl-amidino)amino]-3-phenyl-propionic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=NC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=NC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H25N3O4S/c1-4-27-19(24)18(14-16-8-6-5-7-9-16)22-20(21-3)23-28(25,26)17-12-10-15(2)11-13-17/h5-13,18H,4,14H2,1-3H3,(H2,21,22,23)