methyl 4-[[(2-methyl-5-prop-2-enylsulfonyl-phenyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-methyl-5-prop-2-enylsulfonyl-phenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(5-allylsulfonyl-2-methyl-anilino)methyl]benzoate CAS Name: 4-[(2-methyl-5-prop-2-enylsulfonylanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-5-prop-2-enylsulfonylanilino)methyl]benzoate Traditional Name: 4-[(5-allylsulfonyl-2-methyl-anilino)methyl]benzoic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC=C)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC=C)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H21NO4S/c1-4-11-25(22,23)17-10-5-14(2)18(12-17)20-13-15-6-8-16(9-7-15)19(21)24-3/h4-10,12,20H,1,11,13H2,2-3H3