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

Systemtic Name: ethyl 2-[[N-(4-methylphenyl)sulfonyl-N'-(phenylmethyl)carbamimidoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[N'-benzyl-N-(p-tolylsulfonyl)carbamimidoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[(4-methylphenyl)sulfonylamino]-(phenylmethyl)iminomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[N'-benzyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]amino]-3-phenylpropanoate Traditional Name: 2-[(N'-benzyl-N-tosyl-amidino)amino]-3-phenyl-propionic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=NCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=NCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H29N3O4S/c1-3-33-25(30)24(18-21-10-6-4-7-11-21)28-26(27-19-22-12-8-5-9-13-22)29-34(31,32)23-16-14-20(2)15-17-23/h4-17,24H,3,18-19H2,1-2H3,(H2,27,28,29)