2-[7-oxidanylidene-4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]butanoic acid

Systemtic Name: 2-[7-oxidanylidene-4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]butanoic acid Openeye Name: 2-(4-benzylsulfonyl-7-oxo-1,4-diazepan-1-yl)butanoic acid CAS Name: 2-[7-oxo-4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]butanoic acid IUPAC Name: 2-(4-benzylsulfonyl-7-oxo-1,4-diazepan-1-yl)butanoic acid Traditional Name: 2-(4-benzylsulfonyl-7-keto-1,4-diazepan-1-yl)butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCN(CCC1=O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)N1CCN(CCC1=O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O5S/c1-2-14(16(20)21)18-11-10-17(9-8-15(18)19)24(22,23)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,20,21)