ethyl 3-[(4-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-butylphenyl)sulfonyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[(4-butylphenyl)sulfonyl-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(4-butylphenyl)sulfonyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OCC)CC2=CC=CO2

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OCC)CC2=CC=CO2

InChI

InChI=1S/C20H27NO5S/c1-3-5-7-17-9-11-19(12-10-17)27(23,24)21(14-13-20(22)25-4-2)16-18-8-6-15-26-18/h6,8-12,15H,3-5,7,13-14,16H2,1-2H3