(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C19H20N6O6S MolecularWeight: 460.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6S/c1-2-3-11-24-18(20-22-23-24)13-31-19(26)16-9-4-5-10-17(16)21-32(29,30)15-8-6-7-14(12-15)25(27)28/h4-10,12,21H,2-3,11,13H2,1H3