1-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]azepane-3-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]azepane-3-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-1-(4-methoxyphenyl)sulfonyl-azepane-3-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-azepanecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]azepane-3-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-1-(4-methoxyphenyl)sulfonyl-azepane-3-carboxylic acid Formula: C19H27NO7S MolecularWeight: 413.48518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C19H27NO7S/c1-19(2,3)27-18(23)16-15(17(21)22)7-5-6-12-20(16)28(24,25)14-10-8-13(26-4)9-11-14/h8-11,15-16H,5-7,12H2,1-4H3,(H,21,22)