methyl 2-[(2-methyl-5-nitro-phenyl)sulfonyl-(phenylmethyl)amino]ethanoate

Systemtic Name: methyl 2-[(2-methyl-5-nitro-phenyl)sulfonyl-(phenylmethyl)amino]ethanoate Openeye Name: methyl 2-[benzyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]acetate CAS Name: 2-[(2-methyl-5-nitrophenyl)sulfonyl-(phenylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[benzyl-(2-methyl-5-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[benzyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]acetic acid methyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C17H18N2O6S/c1-13-8-9-15(19(21)22)10-16(13)26(23,24)18(12-17(20)25-2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3