(4-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c23-20(28-15-16-8-10-18(11-9-16)22(24)25)17-6-5-7-19(14-17)29(26,27)21-12-3-1-2-4-13-21/h5-11,14H,1-4,12-13,15H2