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

Systemtic Name: methyl 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoate Openeye Name: methyl 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoate CAS Name: 3-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoate Traditional Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propionic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-26-19(23)12-13-20-18(22)11-8-16-6-9-17(10-7-16)27(24,25)21-14-4-2-3-5-15-21/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,20,22)