1-methylpiperazine; 2-(phenylmethyl)-3-sulfonyl-propanoic acid

Systemtic Name: 1-methylpiperazine; 2-(phenylmethyl)-3-sulfonyl-propanoic acid Openeye Name: 2-benzyl-3-sulfonyl-propanoic acid; 1-methylpiperazine CAS Name: 1-methylpiperazine; 2-(phenylmethyl)-3-sulfonylpropanoic acid IUPAC Name: 2-benzyl-3-sulfonylpropanoic acid; 1-methylpiperazine Traditional Name: 2-benzyl-3-sulfonyl-propionic acid; 1-methylpiperazine Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.C1=CC=C(C=C1)CC(C=S(=O)=O)C(=O)O

Isomeric SMILES

CN1CCNCC1.C1=CC=C(C=C1)CC(C=S(=O)=O)C(=O)O

InChI

InChI=1S/C10H10O4S.C5H12N2/c11-10(12)9(7-15(13)14)6-8-4-2-1-3-5-8;1-7-4-2-6-3-5-7/h1-5,7,9H,6H2,(H,11,12);6H,2-5H2,1H3