(3-chloranylpropylamino) 4-but-2-ynoxy-3-methyl-3-phenyl-2-sulfonyl-butanoate

Systemtic Name: (3-chloranylpropylamino) 4-but-2-ynoxy-3-methyl-3-phenyl-2-sulfonyl-butanoate Openeye Name: (3-chloropropylamino) 4-but-2-ynoxy-3-methyl-3-phenyl-2-sulfonyl-butanoate CAS Name: 4-but-2-ynoxy-3-methyl-3-phenyl-2-sulfonylbutanoic acid (3-chloropropylamino) ester IUPAC Name: (3-chloropropylamino) 4-but-2-ynoxy-3-methyl-3-phenyl-2-sulfonylbutanoate Traditional Name: 4-but-2-ynoxy-3-methyl-3-phenyl-2-sulfonyl-butyric acid (3-chloropropylamino) ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOCC(C)(C1=CC=CC=C1)C(=S(=O)=O)C(=O)ONCCCCl

Isomeric SMILES

CC#CCOCC(C)(C1=CC=CC=C1)C(=S(=O)=O)C(=O)ONCCCCl

InChI

InChI=1S/C18H22ClNO5S/c1-3-4-13-24-14-18(2,15-9-6-5-7-10-15)16(26(22)23)17(21)25-20-12-8-11-19/h5-7,9-10,20H,8,11-14H2,1-2H3