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

Systemtic Name: methyl 6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate Openeye Name: methyl 6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate CAS Name: 6-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoate Traditional Name: 6-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]hexanoic acid methyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H34N2O5S/c1-29-22(26)9-5-4-6-16-23-21(25)15-12-19-10-13-20(14-11-19)30(27,28)24-17-7-2-3-8-18-24/h10-11,13-14H,2-9,12,15-18H2,1H3,(H,23,25)