methyl 2-phenylethanoate; 4-methylpiperazine-1-sulfinic acid

Systemtic Name: methyl 2-phenylethanoate; 4-methylpiperazine-1-sulfinic acid Openeye Name: methyl 2-phenylacetate; 4-methylpiperazine-1-sulfinic acid CAS Name: 4-methyl-1-piperazinesulfinic acid; 2-phenylacetic acid methyl ester IUPAC Name: methyl 2-phenylacetate; 4-methylpiperazine-1-sulfinic acid Traditional Name: 4-methylpiperazine-1-sulfinic acid; 2-phenylacetic acid methyl ester Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)O.COC(=O)CC1=CC=CC=C1

Isomeric SMILES

CN1CCN(CC1)S(=O)O.COC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C9H10O2.C5H12N2O2S/c1-11-9(10)7-8-5-3-2-4-6-8;1-6-2-4-7(5-3-6)10(8)9/h2-6H,7H2,1H3;2-5H2,1H3,(H,8,9)