methyl (2R)-4-methyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-2-[[2-(4-benzylsulfonylpiperazin-1-yl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-benzylsulfonylpiperazin-1-yl)acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(4-benzylsulfonylpiperazino)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O5S/c1-16(2)13-18(20(25)28-3)21-19(24)14-22-9-11-23(12-10-22)29(26,27)15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,21,24)/t18-/m1/s1