2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-hydroxy-butyric acid Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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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

CC(C(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)