methyl 3-[(E)-N-[(4-methylphenyl)sulfonylamino]-C-phenyl-carbonimidoyl]pentanoate

Systemtic Name: methyl 3-[(E)-N-[(4-methylphenyl)sulfonylamino]-C-phenyl-carbonimidoyl]pentanoate Openeye Name: methyl 3-[(E)-C-phenyl-N-(p-tolylsulfonylamino)carbonimidoyl]pentanoate CAS Name: 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]-phenylmethyl]pentanoic acid methyl ester IUPAC Name: methyl 3-[(E)-N-[(4-methylphenyl)sulfonylamino]-C-phenylcarbonimidoyl]pentanoate Traditional Name: 3-[(E)-C-phenyl-N-(tosylamino)carbonimidoyl]valeric acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC)C(=NNS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CC(=O)OC)/C(=N\NS(=O)(=O)C1=CC=C(C=C1)C)/C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O4S/c1-4-16(14-19(23)26-3)20(17-8-6-5-7-9-17)21-22-27(24,25)18-12-10-15(2)11-13-18/h5-13,16,22H,4,14H2,1-3H3/b21-20+