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

Systemtic Name: (4-nitrophenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-nitrophenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-nitrophenyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-19(27-17-10-8-16(9-11-17)21(23)24)15-6-5-7-18(14-15)28(25,26)20-12-3-1-2-4-13-20/h5-11,14H,1-4,12-13H2