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

Systemtic Name: N-[(1S)-3-[4-[2-(4-methylsulfonylphenyl)ethanoylamino]piperazin-1-yl]-1-phenyl-propyl]cyclobutanecarboxamide Openeye Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]-1-phenyl-propyl]cyclobutanecarboxamide CAS Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1-piperazinyl]-1-phenylpropyl]cyclobutanecarboxamide IUPAC Name: N-[(1S)-3-[4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperazin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide Traditional Name: N-[(1S)-3-[4-[[2-(4-mesylphenyl)acetyl]amino]piperazino]-1-phenyl-propyl]cyclobutanecarboxamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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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)C4CCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NN2CCN(CC2)CC[C@@H](C3=CC=CC=C3)NC(=O)C4CCC4

InChI

InChI=1S/C27H36N4O4S/c1-36(34,35)24-12-10-21(11-13-24)20-26(32)29-31-18-16-30(17-19-31)15-14-25(22-6-3-2-4-7-22)28-27(33)23-8-5-9-23/h2-4,6-7,10-13,23,25H,5,8-9,14-20H2,1H3,(H,28,33)(H,29,32)/t25-/m0/s1