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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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