(4-chloranyl-2-methyl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-chloro-2-methyl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H19ClN2O5S/c1-12-10-14(19)4-9-17(12)26-18(23)11-21(3)27(24,25)16-7-5-15(6-8-16)20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22)