(2-nitrophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-nitrophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c23-20(28-15-17-7-3-4-8-19(17)22(24)25)16-9-11-18(12-10-16)29(26,27)21-13-5-1-2-6-14-21/h3-4,7-12H,1-2,5-6,13-15H2