ethyl 4-[(4-methylphenyl)sulfonyl-[3-(oxiran-2-yl)propyl]amino]benzoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-[3-(oxiran-2-yl)propyl]amino]benzoate Openeye Name: ethyl 4-[3-(oxiran-2-yl)propyl-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[(4-methylphenyl)sulfonyl-[3-(2-oxiranyl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-[3-(oxiran-2-yl)propyl]amino]benzoate Traditional Name: 4-[3-(oxiran-2-yl)propyl-tosyl-amino]benzoic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCC2CO2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCCC2CO2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO5S/c1-3-26-21(23)17-8-10-18(11-9-17)22(14-4-5-19-15-27-19)28(24,25)20-12-6-16(2)7-13-20/h6-13,19H,3-5,14-15H2,1-2H3