methyl (E)-3-[5-tert-butyl-2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[5-tert-butyl-2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[5-tert-butyl-2-(p-tolylsulfonylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[5-tert-butyl-2-[(4-methylphenyl)sulfonylamino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-tert-butyl-2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-tert-butyl-2-(tosylamino)phenyl]acrylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(C)(C)C)C=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(C)(C)C)/C=C/C(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-15-6-10-18(11-7-15)27(24,25)22-19-12-9-17(21(2,3)4)14-16(19)8-13-20(23)26-5/h6-14,22H,1-5H3/b13-8+