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(5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate

(5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name:(5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate
Openeye Name:(5-nitro-8-quinolyl) 3-(azepan-1-ylsulfonyl)benzoate
CAS Name:3-(1-azepanylsulfonyl)benzoic acid (5-nitro-8-quinolinyl) ester
IUPAC Name:(5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate
Traditional Name:3-(azepan-1-ylsulfonyl)benzoic acid (5-nitro-8-quinolyl) ester
Formula: C22H21N3O6S
MolecularWeight: 455.48364
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4


InChI

InChI=1S/C22H21N3O6S/c26-22(31-20-11-10-19(25(27)28)18-9-6-12-23-21(18)20)16-7-5-8-17(15-16)32(29,30)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2


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