N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]piperidin-1-yl]-1-phenyl-butyl]-2-fluoranyl-benzamide

Systemtic Name: N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]piperidin-1-yl]-1-phenyl-butyl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]-1-piperidyl]-1-phenyl-butyl]-2-fluoro-benzamide CAS Name: N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1-piperidinyl]-1-phenylbutyl]-2-fluorobenzamide IUPAC Name: N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylbutyl]-2-fluorobenzamide Traditional Name: N-[(1S)-3-[4-[ethyl-[2-(4-mesylphenyl)acetyl]amino]piperidino]-1-phenyl-butyl]-2-fluoro-benzamide Formula: C33H40FN3O4S MolecularWeight: 593.751803

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)C(C)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN(C1CCN(CC1)C(C)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C33H40FN3O4S/c1-4-37(32(38)23-25-14-16-28(17-15-25)42(3,40)41)27-18-20-36(21-19-27)24(2)22-31(26-10-6-5-7-11-26)35-33(39)29-12-8-9-13-30(29)34/h5-17,24,27,31H,4,18-23H2,1-3H3,(H,35,39)/t24?,31-/m0/s1