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

Systemtic Name: N-[4-[(3S)-3-(cyclopentylcarbamoylamino)-3-phenyl-propyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[4-[(3S)-3-(cyclopentylcarbamoylamino)-3-phenyl-propyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[4-[(3S)-3-[[(cyclopentylamino)-oxomethyl]amino]-3-phenylpropyl]-1-piperazinyl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[4-[(3S)-3-(cyclopentylcarbamoylamino)-3-phenylpropyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[4-[(3S)-3-(cyclopentylcarbamoylamino)-3-phenyl-propyl]piperazino]-2-(4-mesylphenyl)acetamide Formula: C28H39N5O4S MolecularWeight: 541.70536

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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)NC4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NN2CCN(CC2)CC[C@@H](C3=CC=CC=C3)NC(=O)NC4CCCC4

InChI

InChI=1S/C28H39N5O4S/c1-38(36,37)25-13-11-22(12-14-25)21-27(34)31-33-19-17-32(18-20-33)16-15-26(23-7-3-2-4-8-23)30-28(35)29-24-9-5-6-10-24/h2-4,7-8,11-14,24,26H,5-6,9-10,15-21H2,1H3,(H,31,34)(H2,29,30,35)/t26-/m0/s1