ethyl 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C

InChI

InChI=1S/C18H22ClNO5S/c1-4-24-18(21)7-8-20(12-15-6-5-9-25-15)26(22,23)17-11-13(2)16(19)10-14(17)3/h5-6,9-11H,4,7-8,12H2,1-3H3