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quinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate

quinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name:quinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate
Openeye Name:8-quinolyl 3-(azepan-1-ylsulfonyl)benzoate
CAS Name:3-(1-azepanylsulfonyl)benzoic acid 8-quinolinyl ester
IUPAC Name:quinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate
Traditional Name:3-(azepan-1-ylsulfonyl)benzoic acid 8-quinolyl ester
Formula: C22H22N2O4S
MolecularWeight: 410.48608
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC4=C3N=CC=C4


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC4=C3N=CC=C4


InChI

InChI=1S/C22H22N2O4S/c25-22(28-20-12-6-8-17-10-7-13-23-21(17)20)18-9-5-11-19(16-18)29(26,27)24-14-3-1-2-4-15-24/h5-13,16H,1-4,14-15H2


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