methyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC)C)C

InChI

InChI=1S/C21H27NO4S/c1-13-14(2)16(4)20(17(5)15(13)3)27(24,25)22-19(21(23)26-6)12-18-10-8-7-9-11-18/h7-11,19,22H,12H2,1-6H3