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

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propanoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]propanoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propionic acid methyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5S/c1-25-16(21)8-9-19-17(22)13-6-7-14(18)15(12-13)26(23,24)20-10-4-2-3-5-11-20/h6-7,12H,2-5,8-11H2,1H3,(H,19,22)