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

Systemtic Name: N-[(1S)-3-[4-[2-(4-methylsulfonylphenyl)ethanoylamino]piperazin-1-yl]-1-phenyl-propyl]cyclohexanecarboxamide Openeye Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]-1-phenyl-propyl]cyclohexanecarboxamide CAS Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1-piperazinyl]-1-phenylpropyl]cyclohexanecarboxamide IUPAC Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]-1-phenylpropyl]cyclohexanecarboxamide Traditional Name: N-[(1S)-3-[4-[[2-(4-mesylphenyl)acetyl]amino]piperazino]-1-phenyl-propyl]cyclohexanecarboxamide Formula: C29H40N4O4S MolecularWeight: 540.7173

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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)C4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NN2CCN(CC2)CC[C@@H](C3=CC=CC=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C29H40N4O4S/c1-38(36,37)26-14-12-23(13-15-26)22-28(34)31-33-20-18-32(19-21-33)17-16-27(24-8-4-2-5-9-24)30-29(35)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25,27H,3,6-7,10-11,16-22H2,1H3,(H,30,35)(H,31,34)/t27-/m0/s1