3-methylbutyl 4-[(4-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(4-nitrophenyl)sulfonylamino]benzoate Openeye Name: isopentyl 4-[(4-nitrophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-nitrophenyl)sulfonylamino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(4-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-(nosylamino)benzoic acid isoamyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-13(2)11-12-26-18(21)14-3-5-15(6-4-14)19-27(24,25)17-9-7-16(8-10-17)20(22)23/h3-10,13,19H,11-12H2,1-2H3