ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]propanoate

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]propanoate Openeye Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonyl-(2-chlorobenzyl)amino]propionic acid ethyl ester Formula: C22H28ClNO4S MolecularWeight: 437.98002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H28ClNO4S/c1-5-28-21(25)14-15-24(16-17-8-6-7-9-20(17)23)29(26,27)19-12-10-18(11-13-19)22(2,3)4/h6-13H,5,14-16H2,1-4H3