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

Systemtic Name: (2S,3S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-hydroxy-butyrate Formula: C17H22ClN2O6S- MolecularWeight: 417.88438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O6S/c1-11(21)15(17(23)24)19-16(22)12-6-7-13(18)14(10-12)27(25,26)20-8-4-2-3-5-9-20/h6-7,10-11,15,21H,2-5,8-9H2,1H3,(H,19,22)(H,23,24)/p-1/t11-,15-/m0/s1