(phenylmethyl) 2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: benzyl 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]acetic acid benzyl ester Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC(=O)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC(=O)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H15ClN2O6S/c1-11-14(17)7-13(8-15(11)19(21)22)26(23,24)18-9-16(20)25-10-12-5-3-2-4-6-12/h2-8,18H,9-10H2,1H3