N-[(1S)-3-[4-[2-(4-methylsulfonylphenyl)ethanoylamino]piperazin-1-yl]-1-phenyl-propyl]cyclopentanecarboxamide

Systemtic Name: N-[(1S)-3-[4-[2-(4-methylsulfonylphenyl)ethanoylamino]piperazin-1-yl]-1-phenyl-propyl]cyclopentanecarboxamide Openeye Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]-1-phenyl-propyl]cyclopentanecarboxamide CAS Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1-piperazinyl]-1-phenylpropyl]cyclopentanecarboxamide IUPAC Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide Traditional Name: N-[(1S)-3-[4-[[2-(4-mesylphenyl)acetyl]amino]piperazino]-1-phenyl-propyl]cyclopentanecarboxamide Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NN2CCN(CC2)CCC(C3=CC=CC=C3)NC(=O)C4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NN2CCN(CC2)CC[C@@H](C3=CC=CC=C3)NC(=O)C4CCCC4

InChI

InChI=1S/C28H38N4O4S/c1-37(35,36)25-13-11-22(12-14-25)21-27(33)30-32-19-17-31(18-20-32)16-15-26(23-7-3-2-4-8-23)29-28(34)24-9-5-6-10-24/h2-4,7-8,11-14,24,26H,5-6,9-10,15-21H2,1H3,(H,29,34)(H,30,33)/t26-/m0/s1