methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]-3-methyl-butanoate

Systemtic Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]-3-methyl-butanoate Openeye Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]-3-methyl-butanoate CAS Name: 4-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]-3-methylbutanoate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]-3-methyl-butyric acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N)CC(=O)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N)CC(=O)OC

InChI

InChI=1S/C23H27N3O6S/c1-17(15-22(27)31-2)14-18-6-10-21(11-7-18)26(12-13-32-33(3,29)30)23(28)25-20-8-4-19(16-24)5-9-20/h4-11,17H,12-15H2,1-3H3,(H,25,28)