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(2-benzamido-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate

(2-benzamido-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name:(2-benzamido-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate
Openeye Name:(2-benzamido-2-oxo-ethyl) 4-(azepan-1-ylsulfonyl)benzoate
CAS Name:4-(1-azepanylsulfonyl)benzoic acid (2-benzamido-2-oxoethyl) ester
IUPAC Name:(2-benzamido-2-oxoethyl) 4-(azepan-1-ylsulfonyl)benzoate
Traditional Name:4-(azepan-1-ylsulfonyl)benzoic acid (2-benzamido-2-keto-ethyl) ester
Formula: C22H24N2O6S
MolecularWeight: 444.50076
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3


InChI

InChI=1S/C22H24N2O6S/c25-20(23-21(26)17-8-4-3-5-9-17)16-30-22(27)18-10-12-19(13-11-18)31(28,29)24-14-6-1-2-7-15-24/h3-5,8-13H,1-2,6-7,14-16H2,(H,23,25,26)


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