methyl 7-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]heptanoate CAS Name: 7-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]heptanoate Traditional Name: 7-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]enanthic acid methyl ester Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN2O5S/c1-29-20(25)10-6-2-3-7-13-23-21(26)17-11-12-18(22)19(16-17)30(27,28)24-14-8-4-5-9-15-24/h11-12,16H,2-10,13-15H2,1H3,(H,23,26)