N-ethyl-N-[1-[3-(2-methylsulfanylethanoylamino)-3-phenyl-propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-ethyl-N-[1-[3-(2-methylsulfanylethanoylamino)-3-phenyl-propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-ethyl-N-[1-[3-[(2-methylsulfanylacetyl)amino]-3-phenyl-propyl]-4-piperidyl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[3-[[2-(methylthio)-1-oxoethyl]amino]-3-phenylpropyl]-4-piperidinyl]acetamide IUPAC Name: N-ethyl-N-[1-[3-[(2-methylsulfanylacetyl)amino]-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-ethyl-2-(4-mesylphenyl)-N-[1-[3-[[2-(methylthio)acetyl]amino]-3-phenyl-propyl]-4-piperidyl]acetamide Formula: C28H39N3O4S2 MolecularWeight: 545.75696

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)CSC)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)CSC)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C28H39N3O4S2/c1-4-31(28(33)20-22-10-12-25(13-11-22)37(3,34)35)24-14-17-30(18-15-24)19-16-26(29-27(32)21-36-2)23-8-6-5-7-9-23/h5-13,24,26H,4,14-21H2,1-3H3,(H,29,32)