(2S)-2-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-propanoate

Systemtic Name: (2S)-2-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-propanoate Openeye Name: (2S)-3-[(4-benzyl-1-piperidyl)sulfonyl]-2-methyl-propanoate CAS Name: (2S)-2-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]propanoate IUPAC Name: (2S)-3-(4-benzylpiperidin-1-yl)sulfonyl-2-methylpropanoate Traditional Name: (2S)-3-(4-benzylpiperidino)sulfonyl-2-methyl-propionate Formula: C16H22NO4S- MolecularWeight: 324.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO4S/c1-13(16(18)19)12-22(20,21)17-9-7-15(8-10-17)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,19)/p-1/t13-/m1/s1