2-methyl-3-sulfonyl-propanoic acid; 1-(2-phenoxyethyl)piperidine

Systemtic Name: 2-methyl-3-sulfonyl-propanoic acid; 1-(2-phenoxyethyl)piperidine Openeye Name: 2-methyl-3-sulfonyl-propanoic acid; 1-(2-phenoxyethyl)piperidine CAS Name: 2-methyl-3-sulfonylpropanoic acid; 1-(2-phenoxyethyl)piperidine IUPAC Name: 2-methyl-3-sulfonylpropanoic acid; 1-(2-phenoxyethyl)piperidine Traditional Name: 2-methyl-3-sulfonyl-propionic acid; 1-(2-phenoxyethyl)piperidine Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=S(=O)=O)C(=O)O.C1CCN(CC1)CCOC2=CC=CC=C2

Isomeric SMILES

CC(C=S(=O)=O)C(=O)O.C1CCN(CC1)CCOC2=CC=CC=C2

InChI

InChI=1S/C13H19NO.C4H6O4S/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;1-3(4(5)6)2-9(7)8/h1,3-4,7-8H,2,5-6,9-12H2;2-3H,1H3,(H,5,6)