ethyl 3-methyl-4-[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-3-methylbenzoate Traditional Name: 4-[[4-[benzyl(mesyl)amino]benzoyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C25H26N2O5S/c1-4-32-25(29)21-12-15-23(18(2)16-21)26-24(28)20-10-13-22(14-11-20)27(33(3,30)31)17-19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3,(H,26,28)