N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]piperidin-1-yl]-1-phenyl-propyl]but-3-enamide

Systemtic Name: N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]piperidin-1-yl]-1-phenyl-propyl]but-3-enamide Openeye Name: N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]-1-piperidyl]-1-phenyl-propyl]but-3-enamide CAS Name: N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1-piperidinyl]-1-phenylpropyl]-3-butenamide IUPAC Name: N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]but-3-enamide Traditional Name: N-[3-[4-[ethyl-[2-(4-mesylphenyl)acetyl]amino]piperidino]-1-phenyl-propyl]but-3-enamide Formula: C29H39N3O4S MolecularWeight: 525.70266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O4S/c1-4-9-28(33)30-27(24-10-7-6-8-11-24)18-21-31-19-16-25(17-20-31)32(5-2)29(34)22-23-12-14-26(15-13-23)37(3,35)36/h4,6-8,10-15,25,27H,1,5,9,16-22H2,2-3H3,(H,30,33)