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

Systemtic Name: N-[4-[(3S)-3-(cyclohexylcarbamoylamino)-3-phenyl-propyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[4-[(3S)-3-(cyclohexylcarbamoylamino)-3-phenyl-propyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[4-[(3S)-3-[[(cyclohexylamino)-oxomethyl]amino]-3-phenylpropyl]-1-piperazinyl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[4-[(3S)-3-(cyclohexylcarbamoylamino)-3-phenylpropyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[4-[(3S)-3-(cyclohexylcarbamoylamino)-3-phenyl-propyl]piperazino]-2-(4-mesylphenyl)acetamide Formula: C29H41N5O4S MolecularWeight: 555.73194

Click to see the large picture

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)NC4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NN2CCN(CC2)CC[C@@H](C3=CC=CC=C3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C29H41N5O4S/c1-39(37,38)26-14-12-23(13-15-26)22-28(35)32-34-20-18-33(19-21-34)17-16-27(24-8-4-2-5-9-24)31-29(36)30-25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25,27H,3,6-7,10-11,16-22H2,1H3,(H,32,35)(H2,30,31,36)/t27-/m0/s1