2-[(4-methylphenyl)sulfonylamino]ethyl 3-methyl-4-nitro-benzoate

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]ethyl 3-methyl-4-nitro-benzoate Openeye Name: 2-(p-tolylsulfonylamino)ethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-[(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]ethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 2-(tosylamino)ethyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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