(2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-(methylthio)butyrate Formula: C18H24ClN2O5S2- MolecularWeight: 447.97656

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H25ClN2O5S2/c1-27-11-8-15(18(23)24)20-17(22)13-6-7-14(19)16(12-13)28(25,26)21-9-4-2-3-5-10-21/h6-7,12,15H,2-5,8-11H2,1H3,(H,20,22)(H,23,24)/p-1/t15-/m0/s1