[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 2-acetamido-3-methyl-butanoate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 2-acetamido-3-methyl-butanoate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 2-acetamido-3-methyl-butanoate CAS Name: 2-acetamido-3-methylbutanoic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-acetamido-3-methylbutanoate Traditional Name: 2-acetamido-3-methyl-butyric acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-13(2)19(22-14(3)24)20(25)28-17-9-7-16(8-10-17)23(4)29(26,27)18-11-5-15(21)6-12-18/h5-13,19H,1-4H3,(H,22,24)