methyl 4-[1-[3-methyl-2-(propan-2-yloxycarbonylamino)butyl]sulfonylethyl]benzoate

Systemtic Name: methyl 4-[1-[3-methyl-2-(propan-2-yloxycarbonylamino)butyl]sulfonylethyl]benzoate Openeye Name: methyl 4-[1-[2-(isopropoxycarbonylamino)-3-methyl-butyl]sulfonylethyl]benzoate CAS Name: 4-[1-[3-methyl-2-[[oxo(propan-2-yloxy)methyl]amino]butyl]sulfonylethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[3-methyl-2-(propan-2-yloxycarbonylamino)butyl]sulfonylethyl]benzoate Traditional Name: 4-[1-[2-(isopropoxycarbonylamino)-3-methyl-butyl]sulfonylethyl]benzoic acid methyl ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)C(C)C1=CC=C(C=C1)C(=O)OC)NC(=O)OC(C)C

Isomeric SMILES

CC(C)C(CS(=O)(=O)C(C)C1=CC=C(C=C1)C(=O)OC)NC(=O)OC(C)C

InChI

InChI=1S/C19H29NO6S/c1-12(2)17(20-19(22)26-13(3)4)11-27(23,24)14(5)15-7-9-16(10-8-15)18(21)25-6/h7-10,12-14,17H,11H2,1-6H3,(H,20,22)