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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-bromo-2-chloro-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-bromo-2-chloro-phenyl) ester Formula: C17H16BrClN2O5S MolecularWeight: 475.74134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H16BrClN2O5S/c1-11(22)20-13-4-6-14(7-5-13)27(24,25)21(2)10-17(23)26-16-8-3-12(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,22)