[2-(4-chlorophenyl)ethanoyl-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]amino] methanesulfonate

Systemtic Name: [2-(4-chlorophenyl)ethanoyl-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]amino] methanesulfonate Openeye Name: [[2-(4-chlorophenyl)acetyl]-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]amino] methanesulfonate CAS Name: methanesulfonic acid [[2-(4-chlorophenyl)-1-oxoethyl]-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]amino] ester IUPAC Name: [[2-(4-chlorophenyl)acetyl]-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]amino] methanesulfonate Traditional Name: methanesulfonic acid [[2-(4-chlorophenyl)acetyl]-[2-(3-methoxy-4-propargyloxy-phenyl)ethyl]amino] ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN(C(=O)CC2=CC=C(C=C2)Cl)OS(=O)(=O)C)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCN(C(=O)CC2=CC=C(C=C2)Cl)OS(=O)(=O)C)OCC#C

InChI

InChI=1S/C21H22ClNO6S/c1-4-13-28-19-10-7-17(14-20(19)27-2)11-12-23(29-30(3,25)26)21(24)15-16-5-8-18(22)9-6-16/h1,5-10,14H,11-13,15H2,2-3H3