(phenylmethyl) 2-[(4-acetamido-3-chloranyl-phenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-acetamido-3-chloranyl-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[(4-acetamido-3-chloro-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamido-3-chlorophenyl)sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-acetamido-3-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamido-3-chloro-phenyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-13(22)20-17-9-8-15(10-16(17)19)27(24,25)21(2)11-18(23)26-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,22)