ethyl 2-methyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-methyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[allyl(methylsulfonyl)amino]benzoyl]amino]-2-methyl-benzoate CAS Name: 2-methyl-3-[[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]benzoyl]amino]benzoate Traditional Name: 3-[[4-[allyl(mesyl)amino]benzoyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)C

InChI

InChI=1S/C21H24N2O5S/c1-5-14-23(29(4,26)27)17-12-10-16(11-13-17)20(24)22-19-9-7-8-18(15(19)3)21(25)28-6-2/h5,7-13H,1,6,14H2,2-4H3,(H,22,24)