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6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate

6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate

Systemtic Name:6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate
Openeye Name:6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate
CAS Name:6-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]hexanoate
IUPAC Name:6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate
Traditional Name:6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate
Formula: C21H31N2O5S-
MolecularWeight: 423.54624
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCCCC(=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCCCC(=O)[O-]


InChI

InChI=1S/C21H32N2O5S/c24-20(22-15-5-3-4-8-21(25)26)14-11-18-9-12-19(13-10-18)29(27,28)23-16-6-1-2-7-17-23/h9-10,12-13H,1-8,11,14-17H2,(H,22,24)(H,25,26)/p-1


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