methyl (2S)-4-methyl-2-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfonylamino]pentanoate Openeye Name: methyl (2S)-2-[3-(4-benzyl-1-piperidyl)propylsulfonylamino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[3-[4-(phenylmethyl)-1-piperidinyl]propylsulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(4-benzylpiperidin-1-yl)propylsulfonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-(4-benzylpiperidino)propylsulfonylamino]-4-methyl-valeric acid methyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)CCCN1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NS(=O)(=O)CCCN1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C22H36N2O4S/c1-18(2)16-21(22(25)28-3)23-29(26,27)15-7-12-24-13-10-20(11-14-24)17-19-8-5-4-6-9-19/h4-6,8-9,18,20-21,23H,7,10-17H2,1-3H3/t21-/m0/s1