2-[2-(4-fluorophenyl)ethyl]-N-[(2S)-4-methoxy-1-oxidanyl-butan-2-yl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide

Systemtic Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(2S)-4-methoxy-1-oxidanyl-butan-2-yl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide Openeye Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(1S)-1-(hydroxymethyl)-3-methoxy-propyl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide CAS Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-5-[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methylamino]benzamide IUPAC Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide Traditional Name: 2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-mercaptopyrrolidin-2-yl]methylamino]-N-[(1S)-3-methoxy-1-methylol-propyl]benzamide Formula: C25H34FN3O3S MolecularWeight: 475.619163

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(CO)NC(=O)C1=C(C=CC(=C1)NCC2CC(CN2)S)CCC3=CC=C(C=C3)F

Isomeric SMILES

COCC[C@@H](CO)NC(=O)C1=C(C=CC(=C1)NC[C@@H]2C[C@@H](CN2)S)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H34FN3O3S/c1-32-11-10-21(16-30)29-25(31)24-13-20(27-14-22-12-23(33)15-28-22)9-6-18(24)5-2-17-3-7-19(26)8-4-17/h3-4,6-9,13,21-23,27-28,30,33H,2,5,10-12,14-16H2,1H3,(H,29,31)/t21-,22-,23-/m0/s1