(4-nitrophenyl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: (4-nitrophenyl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid (4-nitrobenzyl) ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N2O6S/c1-3-4-5-19-7-12-22(13-8-19)26-34(31,32)24-16-21(11-6-18(24)2)25(28)33-17-20-9-14-23(15-10-20)27(29)30/h6-16,26H,3-5,17H2,1-2H3